6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C13H11ClN4O — CID 59594593

IUPAC6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(c1ccncc1)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C13H11ClN4O/c1-8(9-2-4-15-5-3-9)18-11-6-10(14)7-16-12(11)17-13(18)19/h2-8H,1H3,(H,16,17,19)
InChIKeyPMSVFIDLSQLYKL-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.38
Rot. Bonds2

About 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 59594593) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID59594593
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(c1ccncc1)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C13H11ClN4O/c1-8(9-2-4-15-5-3-9)18-11-6-10(14)7-16-12(11)17-13(18)19/h2-8H,1H3,(H,16,17,19)
InChIKeyPMSVFIDLSQLYKL-UHFFFAOYSA-N
XLogP2.38
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 59594593) is 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is CC(c1ccncc1)n1c(=O)[nH]c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PMSVFIDLSQLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8(9-2-4-15-5-3-9)18-11-6-10(14)7-16-12(11)17-13(18)19/h2-8H,1H3,(H,16,17,19).
What are the key properties of 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 274.71 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 59594593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).