6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide

C60H43BrF5N17O5 — CID 158572326

About 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide

6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 158572326) has the molecular formula C60H43BrF5N17O5 and a molecular weight of 1257.01 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide
• PubChem CID: 158572326
• Molecular Formula: C60H43BrF5N17O5
• Molecular Weight: 1257.01 g/mol
• Exact Mass: 1255.27
• IUPAC Name: 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide
• SMILES: N#Cc1cnc(F)c(C(=O)NCc2ccc(F)c(F)c2)c1.N#Cc1cnc(NCc2ccc(-c3cnc4[nH]c(=O)[nH]c4c3)cc2)c(C(=O)NCc2ccc(F)c(F)c2)c1.NCc1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1.O=c1[nH]c2cc(Br)cnc2[nH]1
• InChI: InChI=1S/C27H19F2N7O2.C14H8F3N3O.C13H12N4O.C6H4BrN3O/c28-21-6-3-16(8-22(21)29)12-34-26(37)20-7-17(10-30)13-32-24(20)31-11-15-1-4-18(5-2-15)19-9-23-25(33-14-19)36-27(38)35-23;15-11-2-1-8(4-12(11)16)6-20-14(21)10-3-9(5-18)7-19-13(10)17;14-6-8-1-3-9(4-2-8)10-5-11-12(15-7-10)17-13(18)16-11;7-3-1-4-5(8-2-3)10-6(11)9-4/h1-9,13-14H,11-12H2,(H,31,32)(H,34,37)(H2,33,35,36,38);1-4,7H,6H2,(H,20,21);1-5,7H,6,14H2,(H2,15,16,17,18);1-2H,(H2,8,9,10,11)
• InChIKey: HSFSHCAOWZMQGZ-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 354.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1257.01
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

The IUPAC name of 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 158572326) is 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide is N#Cc1cnc(F)c(C(=O)NCc2ccc(F)c(F)c2)c1.N#Cc1cnc(NCc2ccc(-c3cnc4[nH]c(=O)[nH]c4c3)cc2)c(C(=O)NCc2ccc(F)c(F)c2)c1.NCc1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1.O=c1[nH]c2cc(Br)cnc2[nH]1.

What is the InChIKey of 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

The InChIKey is HSFSHCAOWZMQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N7O2.C14H8F3N3O.C13H12N4O.C6H4BrN3O/c28-21-6-3-16(8-22(21)29)12-34-26(37)20-7-17(10-30)13-32-24(20)31-11-15-1-4-18(5-2-15)19-9-23-25(33-14-19)36-27(38)35-23;15-11-2-1-8(4-12(11)16)6-20-14(21)10-3-9(5-18)7-19-13(10)17;14-6-8-1-3-9(4-2-8)10-5-11-12(15-7-10)17-13(18)16-11;7-3-1-4-5(8-2-3)10-6(11)9-4/h1-9,13-14H,11-12H2,(H,31,32)(H,34,37)(H2,33,35,36,38);1-4,7H,6H2,(H,20,21);1-5,7H,6,14H2,(H2,15,16,17,18);1-2H,(H2,8,9,10,11).

What are the key properties of 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide?

6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 1257.01 g/mol, XLogP of 8.70, 12 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(aminomethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one;6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide;5-cyano-N-[(3,4-difluorophenyl)methyl]-2-[[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 158572326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).