3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C17H14ClN5O — CID 118737713

IUPAC3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cn3ccc(Cl)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C17H14ClN5O/c18-11-4-6-21-9-12(20-16(21)7-11)10-22-15-8-19-5-3-14(15)23(17(22)24)13-1-2-13/h3-9,13H,1-2,10H2
InChIKeyWMLBUGSXJWJXDU-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.88
Rot. Bonds3

About 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118737713) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118737713
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cn3ccc(Cl)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C17H14ClN5O/c18-11-4-6-21-9-12(20-16(21)7-11)10-22-15-8-19-5-3-14(15)23(17(22)24)13-1-2-13/h3-9,13H,1-2,10H2
InChIKeyWMLBUGSXJWJXDU-UHFFFAOYSA-N
XLogP2.88
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118737713) is 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2cn3ccc(Cl)cc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is WMLBUGSXJWJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-11-4-6-21-9-12(20-16(21)7-11)10-22-15-8-19-5-3-14(15)23(17(22)24)13-1-2-13/h3-9,13H,1-2,10H2.
What are the key properties of 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 339.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118737713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).