6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C51H29ClF6N12O3 — CID 87604519

About 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 87604519) has the molecular formula C51H29ClF6N12O3 and a molecular weight of 1007.31 g/mol. Its IUPAC name is 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
• PubChem CID: 87604519
• Molecular Formula: C51H29ClF6N12O3
• Molecular Weight: 1007.31 g/mol
• Exact Mass: 1006.21
• IUPAC Name: 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
• SMILES: O=c1[nH]c2cc(-c3c(F)cncc3F)c(-c3ccccc3F)nc2[nH]1.O=c1[nH]c2cc(-c3ccncc3Cl)c(-c3ccccc3F)nc2[nH]1.O=c1[nH]c2cc(-c3ccncc3F)c(-c3ccccc3F)nc2[nH]1
• InChI: InChI=1S/C17H10ClFN4O.C17H9F3N4O.C17H10F2N4O/c18-12-8-20-6-5-9(12)11-7-14-16(23-17(24)21-14)22-15(11)10-3-1-2-4-13(10)19;18-10-4-2-1-3-8(10)15-9(14-11(19)6-21-7-12(14)20)5-13-16(23-15)24-17(25)22-13;18-12-4-2-1-3-10(12)15-11(9-5-6-20-8-13(9)19)7-14-16(22-15)23-17(24)21-14/h1-8H,(H2,21,22,23,24);1-7H,(H2,22,23,24,25);1-8H,(H2,21,22,23,24)
• InChIKey: PXOXWTBEEGMQEN-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 223.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.31
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

The IUPAC name of 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 87604519) is 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(-c3c(F)cncc3F)c(-c3ccccc3F)nc2[nH]1.O=c1[nH]c2cc(-c3ccncc3Cl)c(-c3ccccc3F)nc2[nH]1.O=c1[nH]c2cc(-c3ccncc3F)c(-c3ccccc3F)nc2[nH]1.

What is the InChIKey of 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

The InChIKey is PXOXWTBEEGMQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O.C17H9F3N4O.C17H10F2N4O/c18-12-8-20-6-5-9(12)11-7-14-16(23-17(24)21-14)22-15(11)10-3-1-2-4-13(10)19;18-10-4-2-1-3-8(10)15-9(14-11(19)6-21-7-12(14)20)5-13-16(23-15)24-17(25)22-13;18-12-4-2-1-3-10(12)15-11(9-5-6-20-8-13(9)19)7-14-16(22-15)23-17(24)21-14/h1-8H,(H2,21,22,23,24);1-7H,(H2,22,23,24,25);1-8H,(H2,21,22,23,24).

What are the key properties of 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 1007.31 g/mol, XLogP of 10.43, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-(3,5-difluoro-4-pyridinyl)-5-(2-fluorophenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 87604519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).