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

C23H22ClN7O — CID 118024129

IUPAC4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(-c2nccc3c2n(C)c(=O)n3-c2ccncc2)nc2nc(Cl)ccc21
InChIInChI=1S/C23H22ClN7O/c1-14(2)9-13-30-17-4-5-18(24)27-21(17)28-22(30)19-20-16(8-12-26-19)31(23(32)29(20)3)15-6-10-25-11-7-15/h4-8,10-12,14H,9,13H2,1-3H3
InChIKeyLGOONMDWSCOZPT-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.23
Rot. Bonds5

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

4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one (PubChem CID 118024129) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one
PubChem CID118024129
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC Name4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(-c2nccc3c2n(C)c(=O)n3-c2ccncc2)nc2nc(Cl)ccc21
InChIInChI=1S/C23H22ClN7O/c1-14(2)9-13-30-17-4-5-18(24)27-21(17)28-22(30)19-20-16(8-12-26-19)31(23(32)29(20)3)15-6-10-25-11-7-15/h4-8,10-12,14H,9,13H2,1-3H3
InChIKeyLGOONMDWSCOZPT-UHFFFAOYSA-N
XLogP4.23
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.23
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 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one (CID 118024129) is 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(-c2nccc3c2n(C)c(=O)n3-c2ccncc2)nc2nc(Cl)ccc21.
What is the InChIKey of 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one?
The InChIKey is LGOONMDWSCOZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-14(2)9-13-30-17-4-5-18(24)27-21(17)28-22(30)19-20-16(8-12-26-19)31(23(32)29(20)3)15-6-10-25-11-7-15/h4-8,10-12,14H,9,13H2,1-3H3.
What are the key properties of 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one?
4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one has a molecular weight of 447.93 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]-3-methyl-1-pyridin-4-ylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118024129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).