About (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 90369683) has the molecular formula C23H23N11O
and a molecular weight of 469.51 g/mol. Its IUPAC name is (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide |
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| PubChem CID | 90369683 |
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| Molecular Formula | C23H23N11O |
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| Molecular Weight | 469.51 g/mol |
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| Exact Mass | 469.21 |
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| IUPAC Name | (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide |
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| SMILES | Cn1cc(NC(=O)[C@H]2CCCN2c2ncc(-c3ccnc(Nc4cnn(C)c4)n3)cc2C#N)cn1 |
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| InChI | InChI=1S/C23H23N11O/c1-32-13-17(11-27-32)29-22(35)20-4-3-7-34(20)21-15(9-24)8-16(10-26-21)19-5-6-25-23(31-19)30-18-12-28-33(2)14-18/h5-6,8,10-14,20H,3-4,7H2,1-2H3,(H,29,35)(H,25,30,31)/t20-/m1/s1 |
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| InChIKey | IDCGJODQYHWQCN-HXUWFJFHSA-N |
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| XLogP | 2.23 |
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| TPSA | 142.47 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 469.51 |
| LogP ≤ 5 | 2.23 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide (CID 90369683) is (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide is Cn1cc(NC(=O)[C@H]2CCCN2c2ncc(-c3ccnc(Nc4cnn(C)c4)n3)cc2C#N)cn1.
What is the InChIKey of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is IDCGJODQYHWQCN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N11O/c1-32-13-17(11-27-32)29-22(35)20-4-3-7-34(20)21-15(9-24)8-16(10-26-21)19-5-6-25-23(31-19)30-18-12-28-33(2)14-18/h5-6,8,10-14,20H,3-4,7H2,1-2H3,(H,29,35)(H,25,30,31)/t20-/m1/s1.
What are the key properties of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 90369683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).