(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile

C20H15ClN6O — CID 57410363

IUPAC(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile
SMILESN#C/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H15ClN6O/c21-13-6-9-25-16(2-1-7-22)15(24-19(25)10-13)12-26-18-11-23-8-5-17(18)27(20(26)28)14-3-4-14/h1-2,5-6,8-11,14H,3-4,12H2/b2-1+
InChIKeyUJTWNYWBWHOCPR-OWOJBTEDSA-N
MW390.83 g/mol
LogP3.42
Rot. Bonds4

About (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile

(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile (PubChem CID 57410363) has the molecular formula C20H15ClN6O and a molecular weight of 390.83 g/mol. Its IUPAC name is (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile
PubChem CID57410363
Molecular FormulaC20H15ClN6O
Molecular Weight390.83 g/mol
Exact Mass390.10
IUPAC Name(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile
SMILESN#C/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H15ClN6O/c21-13-6-9-25-16(2-1-7-22)15(24-19(25)10-13)12-26-18-11-23-8-5-17(18)27(20(26)28)14-3-4-14/h1-2,5-6,8-11,14H,3-4,12H2/b2-1+
InChIKeyUJTWNYWBWHOCPR-OWOJBTEDSA-N
XLogP3.42
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile 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-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118737730
7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118737718
1-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]butane-2-sulfinate
CID 137498126
1-cyclopropyl-3-[(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 67987627
3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 57410246
1-cyclopropyl-3-[[3-(4-hydroxybutyl)imidazo[1,2-a]pyrazin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57410250
2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile
CID 22349293
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-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334819
3-[[7-chloro-4-(3-methylsulfonylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;ethane;propane
CID 144839567
1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 122520256
3-[(4-bromoisoquinolin-3-yl)methyl]-1-(1-ethylpiperidin-4-yl)imidazo[4,5-c]pyridin-2-one
CID 163900066

Frequently Asked Questions

What is the IUPAC name of (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile?
The IUPAC name of (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile (CID 57410363) is (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile?
The canonical SMILES for (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile is N#C/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12.
What is the InChIKey of (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile?
The InChIKey is UJTWNYWBWHOCPR-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H15ClN6O/c21-13-6-9-25-16(2-1-7-22)15(24-19(25)10-13)12-26-18-11-23-8-5-17(18)27(20(26)28)14-3-4-14/h1-2,5-6,8-11,14H,3-4,12H2/b2-1+.
What are the key properties of (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile?
(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile has a molecular weight of 390.83 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile is sourced from PubChem (CID 57410363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).