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

C23H21ClFN7O — CID 90027558

IUPAC3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(-c3ccncc3F)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C23H21ClFN7O/c1-14(2)7-10-30-18-3-4-20(24)28-22(18)29-21(30)13-31-19-12-27-9-6-17(19)32(23(31)33)16-5-8-26-11-15(16)25/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3
InChIKeyZQNDKUFDXKTAJH-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.21
Rot. Bonds6

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

3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 90027558) has the molecular formula C23H21ClFN7O and a molecular weight of 465.92 g/mol. Its IUPAC name is 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one
PubChem CID90027558
Molecular FormulaC23H21ClFN7O
Molecular Weight465.92 g/mol
Exact Mass465.15
IUPAC Name3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(-c3ccncc3F)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C23H21ClFN7O/c1-14(2)7-10-30-18-3-4-20(24)28-22(18)29-21(30)13-31-19-12-27-9-6-17(19)32(23(31)33)16-5-8-26-11-15(16)25/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3
InChIKeyZQNDKUFDXKTAJH-UHFFFAOYSA-N
XLogP4.21
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-((5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl)methyl)-1-cyclopropyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
CID 86698151
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-7H-purin-8-one
CID 56591424
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
3-[[5-Chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11212921
2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51357935
1-Cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57378654
1-Cyclopropyl-3-[[3-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 67991789
1-Cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 67991843
N-[3-[6-(6-chloro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76317863
N-[3-[6-(5-chloro-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76328738
N-[3-[6-(2-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76336047

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[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-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one (CID 90027558) is 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[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-(3-fluoro-4-pyridinyl)imidazo[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-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(Cn2c(=O)n(-c3ccncc3F)c3ccncc32)nc2nc(Cl)ccc21.
What is the InChIKey of 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZQNDKUFDXKTAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O/c1-14(2)7-10-30-18-3-4-20(24)28-22(18)29-21(30)13-31-19-12-27-9-6-17(19)32(23(31)33)16-5-8-26-11-15(16)25/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3.
What are the key properties of 3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one?
3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 465.92 g/mol, XLogP of 4.21, 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-(3-fluoro-4-pyridinyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 90027558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).