4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one

C26H23Cl2FN6O4 — CID 161072301

About 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one

4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one (PubChem CID 161072301) has the molecular formula C26H23Cl2FN6O4 and a molecular weight of 573.41 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one.

Molecular Properties

• Compound Name: 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one
• PubChem CID: 161072301
• Molecular Formula: C26H23Cl2FN6O4
• Molecular Weight: 573.41 g/mol
• Exact Mass: 572.11
• IUPAC Name: 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one
• SMILES: COc1ncc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)c(F)c2)N(c2cc(Cl)c[nH]c2=O)C(=O)C3)c(OC)n1
• InChI: InChI=1S/C26H23Cl2FN6O4/c1-12(2)34-22-18(32-23(34)15-11-31-26(39-4)33-25(15)38-3)9-20(36)35(19-8-14(27)10-30-24(19)37)21(22)13-5-6-16(28)17(29)7-13/h5-8,10-12,21H,9H2,1-4H3,(H,30,37)
• InChIKey: UEUXIUVWWGEMGW-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 115.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.41
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one?

The IUPAC name of 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one (CID 161072301) is 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one.

What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one?

The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one is COc1ncc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)c(F)c2)N(c2cc(Cl)c[nH]c2=O)C(=O)C3)c(OC)n1.

What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one?

The InChIKey is UEUXIUVWWGEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN6O4/c1-12(2)34-22-18(32-23(34)15-11-31-26(39-4)33-25(15)38-3)9-20(36)35(19-8-14(27)10-30-24(19)37)21(22)13-5-6-16(28)17(29)7-13/h5-8,10-12,21H,9H2,1-4H3,(H,30,37).

What are the key properties of 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one?

4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one has a molecular weight of 573.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-3-fluorophenyl)-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4,7-dihydroimidazo[4,5-c]pyridin-6-one is sourced from PubChem (CID 161072301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).