A1A8J
2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-2,3-dihydro-1H-inden-2-ol
| Created: | 2024-09-20 |
| Last modified: | 2025-06-11 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 44 |
| Chiral Atom Count | 1 |
| Bond Count | 48 |
| Aromatic Bond Count | 16 |
Chemical Component Summary | |
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| Name | 2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-2,3-dihydro-1H-inden-2-ol |
| Systematic Name (OpenEye OEToolkits) | 2-[(2~{R})-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,3-dihydroinden-2-ol |
| Formula | C19 H20 N4 O |
| Molecular Weight | 320.388 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1(Cc2ccccc2C1)C1CCCN1c1ncnc2[NH]ccc12 |
| SMILES | CACTVS | 3.385 | OC1(Cc2ccccc2C1)[CH]3CCCN3c4ncnc5[nH]ccc45 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CC(C2)(C3CCCN3c4c5cc[nH]c5ncn4)O |
| Canonical SMILES | CACTVS | 3.385 | OC1(Cc2ccccc2C1)[C@H]3CCCN3c4ncnc5[nH]ccc45 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CC(C2)([C@H]3CCCN3c4c5cc[nH]c5ncn4)O |
| InChI | InChI | 1.06 | InChI=1S/C19H20N4O/c24-19(10-13-4-1-2-5-14(13)11-19)16-6-3-9-23(16)18-15-7-8-20-17(15)21-12-22-18/h1-2,4-5,7-8,12,16,24H,3,6,9-11H2,(H,20,21,22)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | MWZDBDHLXQKPPA-MRXNPFEDSA-N |
