7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile

C23H13Cl2FN4 — CID 137212231

IUPAC7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2Cl)cc(-c2c[nH]c3ccccc23)n2cc(CCl)nc12
InChIInChI=1S/C23H13Cl2FN4/c24-9-14-12-30-22(19-11-28-21-4-2-1-3-16(19)21)8-17(18(10-27)23(30)29-14)15-6-5-13(26)7-20(15)25/h1-8,11-12,28H,9H2
InChIKeyDSVIBINAOADEFC-UHFFFAOYSA-N
MW435.29 g/mol
LogP6.55
Rot. Bonds3

About 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile

7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 137212231) has the molecular formula C23H13Cl2FN4 and a molecular weight of 435.29 g/mol. Its IUPAC name is 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID137212231
Molecular FormulaC23H13Cl2FN4
Molecular Weight435.29 g/mol
Exact Mass434.05
IUPAC Name7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2Cl)cc(-c2c[nH]c3ccccc23)n2cc(CCl)nc12
InChIInChI=1S/C23H13Cl2FN4/c24-9-14-12-30-22(19-11-28-21-4-2-1-3-16(19)21)8-17(18(10-27)23(30)29-14)15-6-5-13(26)7-20(15)25/h1-8,11-12,28H,9H2
InChIKeyDSVIBINAOADEFC-UHFFFAOYSA-N
XLogP6.55
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.29
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenyl)-2-(1H-indol-3-yl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 137254118
2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
CID 56750461
6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
CID 71482052
2-amino-4-(furan-3-yl)-6-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 56873920
2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 10572392
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole
CID 71680040
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
3-[2-(chloromethyl)-6-methylpyrimidin-4-yl]-1H-indole
CID 116893698
[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine
CID 122439577
2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 10594341
6-amino-4-(1H-indol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4886426

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 137212231) is 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc(F)cc2Cl)cc(-c2c[nH]c3ccccc23)n2cc(CCl)nc12.
What is the InChIKey of 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is DSVIBINAOADEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2FN4/c24-9-14-12-30-22(19-11-28-21-4-2-1-3-16(19)21)8-17(18(10-27)23(30)29-14)15-6-5-13(26)7-20(15)25/h1-8,11-12,28H,9H2.
What are the key properties of 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 435.29 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 137212231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).