N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide

C23H27N7O2 — CID 126515402

About N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide

N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 126515402) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide
• PubChem CID: 126515402
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1cccc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1
• InChI: InChI=1S/C23H27N7O2/c1-24-22(31)18-8-4-7-16(25-18)20-26-17-9-10-19(27-21(17)28-20)30-13-5-6-15(14-30)23(32)29-11-2-3-12-29/h4,7-10,15H,2-3,5-6,11-14H2,1H3,(H,24,31)(H,26,27,28)/t15-/m1/s1
• InChIKey: KKAFTJZOYBSYAN-OAHLLOKOSA-N
• XLogP: 2.22
• TPSA: 107.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide (CID 126515402) is N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide is CNC(=O)c1cccc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1.

What is the InChIKey of N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide?

The InChIKey is KKAFTJZOYBSYAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-24-22(31)18-8-4-7-16(25-18)20-26-17-9-10-19(27-21(17)28-20)30-13-5-6-15(14-30)23(32)29-11-2-3-12-29/h4,7-10,15H,2-3,5-6,11-14H2,1H3,(H,24,31)(H,26,27,28)/t15-/m1/s1.

What are the key properties of N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide?

N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-6-[5-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126515402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).