4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

C25H27N5O — CID 129225981

IUPAC4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H27N5O/c26-17-19-8-10-20(11-9-19)24-22(30-12-4-3-7-23(30)27-24)18-28-13-15-29(16-14-28)25(31)21-5-1-2-6-21/h3-4,7-12,21H,1-2,5-6,13-16,18H2
InChIKeyKGCSKZNZKHZWHU-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.71
Rot. Bonds4

About 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 129225981) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID129225981
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H27N5O/c26-17-19-8-10-20(11-9-19)24-22(30-12-4-3-7-23(30)27-24)18-28-13-15-29(16-14-28)25(31)21-5-1-2-6-21/h3-4,7-12,21H,1-2,5-6,13-16,18H2
InChIKeyKGCSKZNZKHZWHU-UHFFFAOYSA-N
XLogP3.71
TPSA64.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 129225981) is 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is N#Cc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is KGCSKZNZKHZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-17-19-8-10-20(11-9-19)24-22(30-12-4-3-7-23(30)27-24)18-28-13-15-29(16-14-28)25(31)21-5-1-2-6-21/h3-4,7-12,21H,1-2,5-6,13-16,18H2.
What are the key properties of 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 413.53 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 129225981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).