1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one

C43H50N12O2 — CID 145424808

IUPAC1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one
SMILESCN1CCN(c2c(CN3CCCC3c3ccccn3)nc3ccccn23)CC1=O.O=C1CN(c2c(CN3CCCC3c3ccccn3)nc3ccccn23)CCN1
InChIInChI=1S/C22H26N6O.C21H24N6O/c1-25-13-14-27(16-21(25)29)22-18(24-20-9-3-5-12-28(20)22)15-26-11-6-8-19(26)17-7-2-4-10-23-17;28-20-15-26(13-10-23-20)21-17(24-19-8-2-4-12-27(19)21)14-25-11-5-7-18(25)16-6-1-3-9-22-16/h2-5,7,9-10,12,19H,6,8,11,13-16H2,1H3;1-4,6,8-9,12,18H,5,7,10-11,13-15H2,(H,23,28)
InChIKeyLBDXFJDSRLKSPR-UHFFFAOYSA-N
MW766.96 g/mol
LogP4.35
Rot. Bonds8

About 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one

1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one (PubChem CID 145424808) has the molecular formula C43H50N12O2 and a molecular weight of 766.96 g/mol. Its IUPAC name is 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one
PubChem CID145424808
Molecular FormulaC43H50N12O2
Molecular Weight766.96 g/mol
Exact Mass766.42
IUPAC Name1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one
SMILESCN1CCN(c2c(CN3CCCC3c3ccccn3)nc3ccccn23)CC1=O.O=C1CN(c2c(CN3CCCC3c3ccccn3)nc3ccccn23)CCN1
InChIInChI=1S/C22H26N6O.C21H24N6O/c1-25-13-14-27(16-21(25)29)22-18(24-20-9-3-5-12-28(20)22)15-26-11-6-8-19(26)17-7-2-4-10-23-17;28-20-15-26(13-10-23-20)21-17(24-19-8-2-4-12-27(19)21)14-25-11-5-7-18(25)16-6-1-3-9-22-16/h2-5,7,9-10,12,19H,6,8,11,13-16H2,1H3;1-4,6,8-9,12,18H,5,7,10-11,13-15H2,(H,23,28)
InChIKeyLBDXFJDSRLKSPR-UHFFFAOYSA-N
XLogP4.35
TPSA122.75 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.96
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one with MolForge

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Related Compounds

2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994
9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)purine-8-carboxamide
CID 68070485
1-[4-[8-Anilino-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 162356165
8-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylimidazo[1,2-a]pyrazine-6-carboxamide
CID 44415428
N-(1-methylpiperidin-4-yl)-8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 44415541
3-[6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 44449190
2-[[2-(1-methylimidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-piperidin-1-ylphenyl)acetamide
CID 44526237
2-[(3S)-3-[8-anilino-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 162646447
1-[4-[2-(1H-benzimidazol-2-yl)-3-pyridinyl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 168286385
Imidazo[1,2-a]pyridin-3-yl-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098988
9-cyclopentyl-2-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N,N-dimethylpurine-8-carboxamide
CID 137507685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one (CID 145424808) is 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one is CN1CCN(c2c(CN3CCCC3c3ccccn3)nc3ccccn23)CC1=O.O=C1CN(c2c(CN3CCCC3c3ccccn3)nc3ccccn23)CCN1.
What is the InChIKey of 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one?
The InChIKey is LBDXFJDSRLKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.C21H24N6O/c1-25-13-14-27(16-21(25)29)22-18(24-20-9-3-5-12-28(20)22)15-26-11-6-8-19(26)17-7-2-4-10-23-17;28-20-15-26(13-10-23-20)21-17(24-19-8-2-4-12-27(19)21)14-25-11-5-7-18(25)16-6-1-3-9-22-16/h2-5,7,9-10,12,19H,6,8,11,13-16H2,1H3;1-4,6,8-9,12,18H,5,7,10-11,13-15H2,(H,23,28).
What are the key properties of 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one?
1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one has a molecular weight of 766.96 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;4-[2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]piperazin-2-one is sourced from PubChem (CID 145424808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).