1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one

C19H12ClF2N3O — CID 134493825

IUPAC1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cc(F)cc(F)c3)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C19H12ClF2N3O/c20-14-3-1-2-11(4-14)10-25-17-7-13(9-23-18(17)24-19(25)26)12-5-15(21)8-16(22)6-12/h1-9H,10H2,(H,23,24,26)
InChIKeyBUALAFNRAKGTQE-UHFFFAOYSA-N
MW371.77 g/mol
LogP4.37
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one

1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493825) has the molecular formula C19H12ClF2N3O and a molecular weight of 371.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493825
Molecular FormulaC19H12ClF2N3O
Molecular Weight371.77 g/mol
Exact Mass371.06
IUPAC Name1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cc(F)cc(F)c3)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C19H12ClF2N3O/c20-14-3-1-2-11(4-14)10-25-17-7-13(9-23-18(17)24-19(25)26)12-5-15(21)8-16(22)6-12/h1-9H,10H2,(H,23,24,26)
InChIKeyBUALAFNRAKGTQE-UHFFFAOYSA-N
XLogP4.37
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(pyridin-3-yl)indoline-1-carboxamide
CID 10826147
1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
3-benzyl-2-hydroxy-3H-imidazo[4,5-b]pyridine
CID 910567
N-[3-[6-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76332423
1-(4-Chlorophenyl)-3-(4-phenyl-2-pyridinyl)urea
CID 155436500
1-(4-Chlorophenyl)-3-(5-phenyl-3-pyridinyl)urea
CID 155436731
6-(2-chlorophenyl)-9-(2,6-difluorophenyl)-7H-purin-8-one
CID 16220897
6-(3-(4-(4-fluorobenzyl)piperidin-1-yl)prop-1-ynyl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 44272953
N-[3-(3-chloro-4-fluorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49791274
1-(6-Chloro-3-pyridinyl)-3-[3-(6-pyrrolidin-1-yl-2-pyridinyl)phenyl]urea
CID 118716123
1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-methylimidazo[4,5-c]pyridin-2-one
CID 155540194
1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-3-ethylimidazo[4,5-c]pyridin-2-one
CID 155550263

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493825) is 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cc(F)cc(F)c3)cc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BUALAFNRAKGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O/c20-14-3-1-2-11(4-14)10-25-17-7-13(9-23-18(17)24-19(25)26)12-5-15(21)8-16(22)6-12/h1-9H,10H2,(H,23,24,26).
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 371.77 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).