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

C22H26N10O2 — CID 155925934

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

7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 155925934) has the molecular formula C22H26N10O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 155925934
• Molecular Formula: C22H26N10O2
• Molecular Weight: 462.52 g/mol
• Exact Mass: 462.22
• IUPAC Name: 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12
• InChI: InChI=1S/C22H26N10O2/c1-13-27-20(21(33)24-2)18-9-14(4-7-31(13)18)29-22-25-6-3-19(30-22)32-11-15(10-26-32)28-17-5-8-34-12-16(17)23/h3-4,6-7,9-11,16-17,28H,5,8,12,23H2,1-2H3,(H,24,33)(H,25,29,30)/t16-,17+/m0/s1
• InChIKey: OALOIHPPRINPBM-DLBZAZTESA-N
• XLogP: 1.25
• TPSA: 149.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.52
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (CID 155925934) is 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]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-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?

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

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

The InChIKey is OALOIHPPRINPBM-DLBZAZTESA-N. The full InChI is InChI=1S/C22H26N10O2/c1-13-27-20(21(33)24-2)18-9-14(4-7-31(13)18)29-22-25-6-3-19(30-22)32-11-15(10-26-32)28-17-5-8-34-12-16(17)23/h3-4,6-7,9-11,16-17,28H,5,8,12,23H2,1-2H3,(H,24,33)(H,25,29,30)/t16-,17+/m0/s1.

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

7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 155925934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).