[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C21H31N5O2 — CID 89487751

IUPAC[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cn2ccc(N3CCC(OC(=O)N4CCN(C(C)C)CC4)CC3)cc2n1
InChIInChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3
InChIKeyXAQBWJISZRMNHF-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.77
Rot. Bonds3

About [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487751) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487751
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cn2ccc(N3CCC(OC(=O)N4CCN(C(C)C)CC4)CC3)cc2n1
InChIInChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3
InChIKeyXAQBWJISZRMNHF-UHFFFAOYSA-N
XLogP2.77
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate 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

N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90178371
N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 90183560
7-Methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 155537053
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 56670167
4-(H-imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-(piperidin-4-yl)pyrimidin-2-amine
CID 44586245
3-[7-Methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766423
3-[7-[2-(Dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766426
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one
CID 54766726
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-7-(2-hydroxyethyl)-9-(oxan-4-yl)purin-8-one
CID 70650259
1-cyclohexyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 76282701

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487751) is [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is Cc1cn2ccc(N3CCC(OC(=O)N4CCN(C(C)C)CC4)CC3)cc2n1.
What is the InChIKey of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is XAQBWJISZRMNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3.
What are the key properties of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).