3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile

C21H18N8 — CID 142530298

IUPAC3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESCc1ncc(-c2cc(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n3ccnc3c2)[nH]1
InChIInChI=1S/C21H18N8/c1-14-25-12-18(27-14)16-6-19(28-5-4-24-20(28)7-16)17-11-26-29(13-17)21(2-3-22)8-15(9-21)10-23/h4-7,11-13,15H,2,8-9H2,1H3,(H,25,27)
InChIKeyFDEILZAUPLRVDW-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.44
Rot. Bonds4

About 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile

3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (PubChem CID 142530298) has the molecular formula C21H18N8 and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
PubChem CID142530298
Molecular FormulaC21H18N8
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESCc1ncc(-c2cc(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n3ccnc3c2)[nH]1
InChIInChI=1S/C21H18N8/c1-14-25-12-18(27-14)16-6-19(28-5-4-24-20(28)7-16)17-11-26-29(13-17)21(2-3-22)8-15(9-21)10-23/h4-7,11-13,15H,2,8-9H2,1H3,(H,25,27)
InChIKeyFDEILZAUPLRVDW-UHFFFAOYSA-N
XLogP3.44
TPSA111.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (CID 142530298) is 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is Cc1ncc(-c2cc(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n3ccnc3c2)[nH]1.
What is the InChIKey of 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The InChIKey is FDEILZAUPLRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8/c1-14-25-12-18(27-14)16-6-19(28-5-4-24-20(28)7-16)17-11-26-29(13-17)21(2-3-22)8-15(9-21)10-23/h4-7,11-13,15H,2,8-9H2,1H3,(H,25,27).
What are the key properties of 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile has a molecular weight of 382.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-3-[4-[7-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 142530298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).