3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one

C27H24ClN7O — CID 118023698

IUPAC3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(-c3ccc4ncccc4c3)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C27H24ClN7O/c1-17(2)10-13-33-22-7-8-24(28)31-26(22)32-25(33)16-34-23-15-29-12-9-21(23)35(27(34)36)19-5-6-20-18(14-19)4-3-11-30-20/h3-9,11-12,14-15,17H,10,13,16H2,1-2H3
InChIKeyBJVWMZGXNIZCAS-UHFFFAOYSA-N
MW497.99 g/mol
LogP5.23
Rot. Bonds6

About 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one

3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one (PubChem CID 118023698) has the molecular formula C27H24ClN7O and a molecular weight of 497.99 g/mol. Its IUPAC name is 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one
PubChem CID118023698
Molecular FormulaC27H24ClN7O
Molecular Weight497.99 g/mol
Exact Mass497.17
IUPAC Name3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(-c3ccc4ncccc4c3)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C27H24ClN7O/c1-17(2)10-13-33-22-7-8-24(28)31-26(22)32-25(33)16-34-23-15-29-12-9-21(23)35(27(34)36)19-5-6-20-18(14-19)4-3-11-30-20/h3-9,11-12,14-15,17H,10,13,16H2,1-2H3
InChIKeyBJVWMZGXNIZCAS-UHFFFAOYSA-N
XLogP5.23
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.99
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one (CID 118023698) is 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(Cn2c(=O)n(-c3ccc4ncccc4c3)c3ccncc32)nc2nc(Cl)ccc21.
What is the InChIKey of 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
The InChIKey is BJVWMZGXNIZCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O/c1-17(2)10-13-33-22-7-8-24(28)31-26(22)32-25(33)16-34-23-15-29-12-9-21(23)35(27(34)36)19-5-6-20-18(14-19)4-3-11-30-20/h3-9,11-12,14-15,17H,10,13,16H2,1-2H3.
What are the key properties of 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one has a molecular weight of 497.99 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118023698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).