3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C18H21N5S — CID 22510205

IUPAC3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(NC3CCCCCCC3)c(-c3cccs3)nc12
InChIInChI=1S/C18H21N5S/c19-11-13-12-20-23-17(13)22-16(15-9-6-10-24-15)18(23)21-14-7-4-2-1-3-5-8-14/h6,9-10,12,14,20-21H,1-5,7-8H2
InChIKeyJRQZHXWQYPOCOX-UHFFFAOYSA-N
MW339.47 g/mol
LogP4.79
Rot. Bonds3

About 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 22510205) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID22510205
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(NC3CCCCCCC3)c(-c3cccs3)nc12
InChIInChI=1S/C18H21N5S/c19-11-13-12-20-23-17(13)22-16(15-9-6-10-24-15)18(23)21-14-7-4-2-1-3-5-8-14/h6,9-10,12,14,20-21H,1-5,7-8H2
InChIKeyJRQZHXWQYPOCOX-UHFFFAOYSA-N
XLogP4.79
TPSA68.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 22510205) is 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is N#Cc1c[nH]n2c(NC3CCCCCCC3)c(-c3cccs3)nc12.
What is the InChIKey of 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is JRQZHXWQYPOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c19-11-13-12-20-23-17(13)22-16(15-9-6-10-24-15)18(23)21-14-7-4-2-1-3-5-8-14/h6,9-10,12,14,20-21H,1-5,7-8H2.
What are the key properties of 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 339.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 22510205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).