1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one

C34H33N7O — CID 171563522

About 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one

1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one (PubChem CID 171563522) has the molecular formula C34H33N7O and a molecular weight of 555.69 g/mol. Its IUPAC name is 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one
• PubChem CID: 171563522
• Molecular Formula: C34H33N7O
• Molecular Weight: 555.69 g/mol
• Exact Mass: 555.27
• IUPAC Name: 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one
• SMILES: Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CCC(N3CCC=CC3=O)CC2)cc1
• InChI: InChI=1S/C34H33N7O/c35-32-28(9-6-19-36-32)33-38-30-16-15-29(25-7-2-1-3-8-25)37-34(30)41(33)27-13-11-24(12-14-27)23-39-21-17-26(18-22-39)40-20-5-4-10-31(40)42/h1-4,6-16,19,26H,5,17-18,20-23H2,(H2,35,36)
• InChIKey: PZMKBTPFKZYGBY-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 93.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.69
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one?

The IUPAC name of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one (CID 171563522) is 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one.

What is the SMILES notation for 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one?

The canonical SMILES for 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CCC(N3CCC=CC3=O)CC2)cc1.

What is the InChIKey of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one?

The InChIKey is PZMKBTPFKZYGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7O/c35-32-28(9-6-19-36-32)33-38-30-16-15-29(25-7-2-1-3-8-25)37-34(30)41(33)27-13-11-24(12-14-27)23-39-21-17-26(18-22-39)40-20-5-4-10-31(40)42/h1-4,6-16,19,26H,5,17-18,20-23H2,(H2,35,36).

What are the key properties of 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one?

1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one has a molecular weight of 555.69 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 171563522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).