2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile

C20H24N6 — CID 95291066

IUPAC2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESC[C@H]1CN(Cc2cn3ccccc3c2C#N)CCN1Cc1nccn1C
InChIInChI=1S/C20H24N6/c1-16-12-24(9-10-25(16)15-20-22-6-8-23(20)2)13-17-14-26-7-4-3-5-19(26)18(17)11-21/h3-8,14,16H,9-10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyXYQUWRPUAWPQHR-INIZCTEOSA-N
MW348.45 g/mol
LogP2.25
Rot. Bonds4

About 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile

2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 95291066) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID95291066
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESC[C@H]1CN(Cc2cn3ccccc3c2C#N)CCN1Cc1nccn1C
InChIInChI=1S/C20H24N6/c1-16-12-24(9-10-25(16)15-20-22-6-8-23(20)2)13-17-14-26-7-4-3-5-19(26)18(17)11-21/h3-8,14,16H,9-10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyXYQUWRPUAWPQHR-INIZCTEOSA-N
XLogP2.25
TPSA52.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-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

Related Compounds

2-[[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 98763904
3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302
2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile
CID 62673499
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 79867743
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95610800
2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile
CID 56802794
4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
CID 95287075
2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 95283741
(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95305075
(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95350449

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile (CID 95291066) is 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile is C[C@H]1CN(Cc2cn3ccccc3c2C#N)CCN1Cc1nccn1C.
What is the InChIKey of 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is XYQUWRPUAWPQHR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6/c1-16-12-24(9-10-25(16)15-20-22-6-8-23(20)2)13-17-14-26-7-4-3-5-19(26)18(17)11-21/h3-8,14,16H,9-10,12-13,15H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 348.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 95291066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).