3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C21H25N5O — CID 22510371

IUPAC3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC(C)C2C)c1
InChIInChI=1S/C21H25N5O/c1-13-6-4-9-18(14(13)2)24-21-19(15-7-5-8-17(10-15)27-3)25-20-16(11-22)12-23-26(20)21/h5,7-8,10,12-14,18,23-24H,4,6,9H2,1-3H3
InChIKeyIROFRKJDIIWIHT-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.45
Rot. Bonds4

About 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 22510371) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID22510371
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC(C)C2C)c1
InChIInChI=1S/C21H25N5O/c1-13-6-4-9-18(14(13)2)24-21-19(15-7-5-8-17(10-15)27-3)25-20-16(11-22)12-23-26(20)21/h5,7-8,10,12-14,18,23-24H,4,6,9H2,1-3H3
InChIKeyIROFRKJDIIWIHT-UHFFFAOYSA-N
XLogP4.45
TPSA78.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 22510371) is 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is COc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC(C)C2C)c1.
What is the InChIKey of 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is IROFRKJDIIWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13-6-4-9-18(14(13)2)24-21-19(15-7-5-8-17(10-15)27-3)25-20-16(11-22)12-23-26(20)21/h5,7-8,10,12-14,18,23-24H,4,6,9H2,1-3H3.
What are the key properties of 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 363.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclohexyl)amino]-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 22510371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).