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

C35H30N10O — CID 171494894

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

N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide (PubChem CID 171494894) has the molecular formula C35H30N10O and a molecular weight of 606.69 g/mol. Its IUPAC name is N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide
• PubChem CID: 171494894
• Molecular Formula: C35H30N10O
• Molecular Weight: 606.69 g/mol
• Exact Mass: 606.26
• IUPAC Name: N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide
• SMILES: N#Cc1cc(C(=O)NC2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6)nc54)cc3)CC2)ncn1
• InChI: InChI=1S/C35H30N10O/c36-20-26-19-31(40-22-39-26)35(46)41-25-14-17-44(18-15-25)21-23-8-10-27(11-9-23)45-33(28-7-4-16-38-32(28)37)43-30-13-12-29(42-34(30)45)24-5-2-1-3-6-24/h1-13,16,19,22,25H,14-15,17-18,21H2,(H2,37,38)(H,41,46)
• InChIKey: NZIFYEDKIUEROB-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 151.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.69
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide (CID 171494894) is N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide.

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

The canonical SMILES for N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide is N#Cc1cc(C(=O)NC2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(-c6ccccc6)nc54)cc3)CC2)ncn1.

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

The InChIKey is NZIFYEDKIUEROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N10O/c36-20-26-19-31(40-22-39-26)35(46)41-25-14-17-44(18-15-25)21-23-8-10-27(11-9-23)45-33(28-7-4-16-38-32(28)37)43-30-13-12-29(42-34(30)45)24-5-2-1-3-6-24/h1-13,16,19,22,25H,14-15,17-18,21H2,(H2,37,38)(H,41,46).

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

N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide has a molecular weight of 606.69 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide is sourced from PubChem (CID 171494894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).