4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide

C25H30N6O2 — CID 112835915

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
SMILESO=C1CCCN1Cc1cccc(CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C25H30N6O2/c32-24-8-4-10-31(24)17-21-6-3-5-20(15-21)16-26-25(33)29-13-11-28(12-14-29)18-22-19-30-9-2-1-7-23(30)27-22/h1-3,5-7,9,15,19H,4,8,10-14,16-18H2,(H,26,33)
InChIKeyBSLCANSBOFGLRJ-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.48
Rot. Bonds6

About 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide

4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 112835915) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID112835915
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
SMILESO=C1CCCN1Cc1cccc(CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C25H30N6O2/c32-24-8-4-10-31(24)17-21-6-3-5-20(15-21)16-26-25(33)29-13-11-28(12-14-29)18-22-19-30-9-2-1-7-23(30)27-22/h1-3,5-7,9,15,19H,4,8,10-14,16-18H2,(H,26,33)
InChIKeyBSLCANSBOFGLRJ-UHFFFAOYSA-N
XLogP2.48
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide 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-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 78890504
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477
3-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122001351
4-(1-benzothiophene-2-carbonyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
CID 166264292
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 134011203
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 154736193
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 86880052
2-(4-fluorophenyl)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134056686

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide (CID 112835915) is 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide is O=C1CCCN1Cc1cccc(CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is BSLCANSBOFGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-24-8-4-10-31(24)17-21-6-3-5-20(15-21)16-26-25(33)29-13-11-28(12-14-29)18-22-19-30-9-2-1-7-23(30)27-22/h1-3,5-7,9,15,19H,4,8,10-14,16-18H2,(H,26,33).
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide?
4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 112835915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).