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

C23H28N10O2 — CID 162647292

About 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-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]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 162647292) has the molecular formula C23H28N10O2 and a molecular weight of 476.55 g/mol. Its IUPAC name is 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-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]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 162647292
• Molecular Formula: C23H28N10O2
• Molecular Weight: 476.55 g/mol
• Exact Mass: 476.24
• IUPAC Name: 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-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)c(C)n4)n3)cc12
• InChI: InChI=1S/C23H28N10O2/c1-13-18(29-17-6-9-35-12-16(17)24)11-33(31-13)20-4-7-26-23(30-20)28-15-5-8-32-14(2)27-21(19(32)10-15)22(34)25-3/h4-5,7-8,10-11,16-17,29H,6,9,12,24H2,1-3H3,(H,25,34)(H,26,28,30)/t16-,17+/m0/s1
• InChIKey: NPSUYJDNOFYGMK-DLBZAZTESA-N
• XLogP: 1.56
• TPSA: 149.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.55
LogP ≤ 5	1.56
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]-3-methylpyrazol-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]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (CID 162647292) is 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-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]-3-methylpyrazol-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]-3-methylpyrazol-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)c(C)n4)n3)cc12.

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

The InChIKey is NPSUYJDNOFYGMK-DLBZAZTESA-N. The full InChI is InChI=1S/C23H28N10O2/c1-13-18(29-17-6-9-35-12-16(17)24)11-33(31-13)20-4-7-26-23(30-20)28-15-5-8-32-14(2)27-21(19(32)10-15)22(34)25-3/h4-5,7-8,10-11,16-17,29H,6,9,12,24H2,1-3H3,(H,25,34)(H,26,28,30)/t16-,17+/m0/s1.

What are the key properties of 7-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-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]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 1.56, 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]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 162647292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).