5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine

C21H25ClN6 — CID 134251358

IUPAC5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine
SMILESCC(C)CCn1c(CN2CN(C3CC3)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C21H25ClN6/c1-14(2)8-10-27-17-5-6-19(22)24-21(17)25-20(27)12-26-13-28(15-3-4-15)16-7-9-23-11-18(16)26/h5-7,9,11,14-15H,3-4,8,10,12-13H2,1-2H3
InChIKeyIREJEEOCTUDJQA-UHFFFAOYSA-N
MW396.93 g/mol
LogP4.47
Rot. Bonds6

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

5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine (PubChem CID 134251358) has the molecular formula C21H25ClN6 and a molecular weight of 396.93 g/mol. Its IUPAC name is 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine
PubChem CID134251358
Molecular FormulaC21H25ClN6
Molecular Weight396.93 g/mol
Exact Mass396.18
IUPAC Name5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine
SMILESCC(C)CCn1c(CN2CN(C3CC3)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C21H25ClN6/c1-14(2)8-10-27-17-5-6-19(22)24-21(17)25-20(27)12-26-13-28(15-3-4-15)16-7-9-23-11-18(16)26/h5-7,9,11,14-15H,3-4,8,10,12-13H2,1-2H3
InChIKeyIREJEEOCTUDJQA-UHFFFAOYSA-N
XLogP4.47
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine 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-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 57378650
magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide
CID 159077189
3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 57378766
4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 4-methylbenzenesulfonate
CID 88544981
1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one
CID 57378765
2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-imidazo[4,5-c]pyridin-1-yl]acetic acid
CID 67975896
[2-[(3-cyclopentyl-2,4-dihydroquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazol-5-yl]methanamine
CID 142736592
6-chloro-1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one
CID 118058914
1-[[5-chloro-1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 122520250
1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine
CID 151836988
1-cyclopropyl-3-[[3-(3-methylbutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 67991772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine (CID 134251358) is 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine is CC(C)CCn1c(CN2CN(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine?
The InChIKey is IREJEEOCTUDJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6/c1-14(2)8-10-27-17-5-6-19(22)24-21(17)25-20(27)12-26-13-28(15-3-4-15)16-7-9-23-11-18(16)26/h5-7,9,11,14-15H,3-4,8,10,12-13H2,1-2H3.
What are the key properties of 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine?
5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine has a molecular weight of 396.93 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134251358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).