7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide

C22H24FN9O — CID 162672157

About 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide

7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 162672157) has the molecular formula C22H24FN9O and a molecular weight of 449.49 g/mol. Its IUPAC name is 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 162672157
• Molecular Formula: C22H24FN9O
• Molecular Weight: 449.49 g/mol
• Exact Mass: 449.21
• IUPAC Name: 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc([C@@H]5C[C@@H](F)CN5C)cn4)n3)cc12
• InChI: InChI=1S/C22H24FN9O/c1-13-27-20(21(33)24-2)18-9-16(5-7-31(13)18)28-22-25-6-4-19(29-22)32-11-14(10-26-32)17-8-15(23)12-30(17)3/h4-7,9-11,15,17H,8,12H2,1-3H3,(H,24,33)(H,25,28,29)/t15-,17+/m1/s1
• InChIKey: MSNZEHCCRXNMBZ-WBVHZDCISA-N
• XLogP: 2.44
• TPSA: 105.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.49
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (CID 162672157) is 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc([C@@H]5C[C@@H](F)CN5C)cn4)n3)cc12.

What is the InChIKey of 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is MSNZEHCCRXNMBZ-WBVHZDCISA-N. The full InChI is InChI=1S/C22H24FN9O/c1-13-27-20(21(33)24-2)18-9-16(5-7-31(13)18)28-22-25-6-4-19(29-22)32-11-14(10-26-32)17-8-15(23)12-30(17)3/h4-7,9-11,15,17H,8,12H2,1-3H3,(H,24,33)(H,25,28,29)/t15-,17+/m1/s1.

What are the key properties of 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?

7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 162672157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).