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

C19H14F2N4O — CID 134493802

IUPAC6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccncc1Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C19H14F2N4O/c1-11-4-5-22-8-14(11)10-25-17-7-13(9-23-18(17)24-19(25)26)12-2-3-15(20)16(21)6-12/h2-9H,10H2,1H3,(H,23,24,26)
InChIKeyKHNGUVRSEOOPIF-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.42
Rot. Bonds3

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

6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493802) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493802
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccncc1Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C19H14F2N4O/c1-11-4-5-22-8-14(11)10-25-17-7-13(9-23-18(17)24-19(25)26)12-2-3-15(20)16(21)6-12/h2-9H,10H2,1H3,(H,23,24,26)
InChIKeyKHNGUVRSEOOPIF-UHFFFAOYSA-N
XLogP3.42
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493802) is 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1ccncc1Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(F)c3)cc21.
What is the InChIKey of 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KHNGUVRSEOOPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-11-4-5-22-8-14(11)10-25-17-7-13(9-23-18(17)24-19(25)26)12-2-3-15(20)16(21)6-12/h2-9H,10H2,1H3,(H,23,24,26).
What are the key properties of 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 352.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-1-[(4-methyl-3-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).