2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide

C32H29F3N6O2 — CID 170071251

About 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide

2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 170071251) has the molecular formula C32H29F3N6O2 and a molecular weight of 586.62 g/mol. Its IUPAC name is 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide
• PubChem CID: 170071251
• Molecular Formula: C32H29F3N6O2
• Molecular Weight: 586.62 g/mol
• Exact Mass: 586.23
• IUPAC Name: 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide
• SMILES: CCC1(Cn2c(Cc3cc(F)c(-c4ccnc(OCc5ccc(C)cc5F)n4)cc3F)nc3ccc(C(N)=O)nc32)CC1
• InChI: InChI=1S/C32H29F3N6O2/c1-3-32(9-10-32)17-41-28(38-27-7-6-26(29(36)42)39-30(27)41)14-20-13-24(35)21(15-23(20)34)25-8-11-37-31(40-25)43-16-19-5-4-18(2)12-22(19)33/h4-8,11-13,15H,3,9-10,14,16-17H2,1-2H3,(H2,36,42)
• InChIKey: LUGKWNXTMKULJZ-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 108.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.62
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?

The IUPAC name of 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 170071251) is 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide.

What is the SMILES notation for 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?

The canonical SMILES for 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide is CCC1(Cn2c(Cc3cc(F)c(-c4ccnc(OCc5ccc(C)cc5F)n4)cc3F)nc3ccc(C(N)=O)nc32)CC1.

What is the InChIKey of 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?

The InChIKey is LUGKWNXTMKULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3N6O2/c1-3-32(9-10-32)17-41-28(38-27-7-6-26(29(36)42)39-30(27)41)14-20-13-24(35)21(15-23(20)34)25-8-11-37-31(40-25)43-16-19-5-4-18(2)12-22(19)33/h4-8,11-13,15H,3,9-10,14,16-17H2,1-2H3,(H2,36,42).

What are the key properties of 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?

2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 586.62 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,5-difluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 170071251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).