3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C18H11ClFN5 — CID 67284607

IUPAC3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(Nc3ccccc3Cl)c(-c3ccccc3F)nc12
InChIInChI=1S/C18H11ClFN5/c19-13-6-2-4-8-15(13)23-18-16(12-5-1-3-7-14(12)20)24-17-11(9-21)10-22-25(17)18/h1-8,10,22-23H
InChIKeyCACQNHPMPKDZEK-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.74
Rot. Bonds3

About 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 67284607) has the molecular formula C18H11ClFN5 and a molecular weight of 351.77 g/mol. Its IUPAC name is 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID67284607
Molecular FormulaC18H11ClFN5
Molecular Weight351.77 g/mol
Exact Mass351.07
IUPAC Name3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(Nc3ccccc3Cl)c(-c3ccccc3F)nc12
InChIInChI=1S/C18H11ClFN5/c19-13-6-2-4-8-15(13)23-18-16(12-5-1-3-7-14(12)20)24-17-11(9-21)10-22-25(17)18/h1-8,10,22-23H
InChIKeyCACQNHPMPKDZEK-UHFFFAOYSA-N
XLogP4.74
TPSA68.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[3-(2-chloroanilino)-7-cyano-5H-imidazo[1,2-b]pyrazol-2-yl]furan-2-yl]methyl acetate
CID 67285577
2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284251
2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67284290
methyl 4-[(7-cyano-2-phenyl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
CID 67285242
3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67286044
3-(4-chloro-3-methoxyanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285265
3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285157
methyl 4-[(7-cyano-2-pyridin-2-yl-5H-imidazo[1,2-b]pyrazol-3-yl)amino]benzoate
CID 67284094
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 67285051
methyl 4-[[7-cyano-2-(4-methylsulfanylphenyl)-5H-imidazo[1,2-b]pyrazol-3-yl]amino]benzoate
CID 67284900
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397
N,2-bis(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 45254923

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 67284607) is 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is N#Cc1c[nH]n2c(Nc3ccccc3Cl)c(-c3ccccc3F)nc12.
What is the InChIKey of 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is CACQNHPMPKDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5/c19-13-6-2-4-8-15(13)23-18-16(12-5-1-3-7-14(12)20)24-17-11(9-21)10-22-25(17)18/h1-8,10,22-23H.
What are the key properties of 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 351.77 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-2-(2-fluorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 67284607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).