A1BLV
(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
| Created: | 2024-12-17 |
| Last modified: | 2025-02-26 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 57 |
| Chiral Atom Count | 1 |
| Bond Count | 61 |
| Aromatic Bond Count | 18 |
Chemical Component Summary | |
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| Name | (1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile |
| Systematic Name (OpenEye OEToolkits) | (1~{R})-1-[[2-(methylamino)-6-(3-pyrrolidin-1-ylphenyl)pyrimidin-4-yl]amino]-2,3-dihydro-1~{H}-indene-4-carbonitrile |
| Formula | C25 H26 N6 |
| Molecular Weight | 410.514 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#Cc1cccc2c1CCC2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1 |
| SMILES | CACTVS | 3.385 | CNc1nc(N[CH]2CCc3c(cccc23)C#N)cc(n1)c4cccc(c4)N5CCCC5 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNc1nc(cc(n1)NC2CCc3c2cccc3C#N)c4cccc(c4)N5CCCC5 |
| Canonical SMILES | CACTVS | 3.385 | CNc1nc(N[C@@H]2CCc3c(cccc23)C#N)cc(n1)c4cccc(c4)N5CCCC5 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CNc1nc(cc(n1)N[C@@H]2CCc3c2cccc3C#N)c4cccc(c4)N5CCCC5 |
| InChI | InChI | 1.06 | InChI=1S/C25H26N6/c1-27-25-29-23(17-6-4-8-19(14-17)31-12-2-3-13-31)15-24(30-25)28-22-11-10-20-18(16-26)7-5-9-21(20)22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H2,27,28,29,30)/t22-/m1/s1 |
| InChIKey | InChI | 1.06 | AAOXHEZQAFYPKY-JOCHJYFZSA-N |
