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

C22H25N9O2 — CID 162665790

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

7-[[4-[4-[(2S,4S)-4-hydroxy-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 162665790) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 7-[[4-[4-[(2S,4S)-4-hydroxy-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,4S)-4-hydroxy-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 162665790
• Molecular Formula: C22H25N9O2
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.21
• IUPAC Name: 7-[[4-[4-[(2S,4S)-4-hydroxy-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](O)CN5C)cn4)n3)cc12
• InChI: InChI=1S/C22H25N9O2/c1-13-26-20(21(33)23-2)18-8-15(5-7-30(13)18)27-22-24-6-4-19(28-22)31-11-14(10-25-31)17-9-16(32)12-29(17)3/h4-8,10-11,16-17,32H,9,12H2,1-3H3,(H,23,33)(H,24,27,28)/t16-,17-/m0/s1
• InChIKey: NCECFLWGHBWDSM-IRXDYDNUSA-N
• XLogP: 1.46
• TPSA: 125.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-[(2S,4S)-4-hydroxy-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,4S)-4-hydroxy-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (CID 162665790) is 7-[[4-[4-[(2S,4S)-4-hydroxy-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,4S)-4-hydroxy-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,4S)-4-hydroxy-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](O)CN5C)cn4)n3)cc12.

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

The InChIKey is NCECFLWGHBWDSM-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-13-26-20(21(33)23-2)18-8-15(5-7-30(13)18)27-22-24-6-4-19(28-22)31-11-14(10-25-31)17-9-16(32)12-29(17)3/h4-8,10-11,16-17,32H,9,12H2,1-3H3,(H,23,33)(H,24,27,28)/t16-,17-/m0/s1.

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

7-[[4-[4-[(2S,4S)-4-hydroxy-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 447.50 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[4-[(2S,4S)-4-hydroxy-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 162665790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).