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

C19H13F3N4O — CID 134493918

IUPAC1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccncc1Cn1c(=O)[nH]c2ncc(-c3cc(F)c(F)c(F)c3)cc21
InChIInChI=1S/C19H13F3N4O/c1-10-2-3-23-7-13(10)9-26-16-6-12(8-24-18(16)25-19(26)27)11-4-14(20)17(22)15(21)5-11/h2-8H,9H2,1H3,(H,24,25,27)
InChIKeyYMBVXISLWUJQMX-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.56
Rot. Bonds3

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

1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493918) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493918
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccncc1Cn1c(=O)[nH]c2ncc(-c3cc(F)c(F)c(F)c3)cc21
InChIInChI=1S/C19H13F3N4O/c1-10-2-3-23-7-13(10)9-26-16-6-12(8-24-18(16)25-19(26)27)11-4-14(20)17(22)15(21)5-11/h2-8H,9H2,1H3,(H,24,25,27)
InChIKeyYMBVXISLWUJQMX-UHFFFAOYSA-N
XLogP3.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493918) is 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is Cc1ccncc1Cn1c(=O)[nH]c2ncc(-c3cc(F)c(F)c(F)c3)cc21.
What is the InChIKey of 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is YMBVXISLWUJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c1-10-2-3-23-7-13(10)9-26-16-6-12(8-24-18(16)25-19(26)27)11-4-14(20)17(22)15(21)5-11/h2-8H,9H2,1H3,(H,24,25,27).
What are the key properties of 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 370.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).