4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C24H35N5O3 — CID 45228640

IUPAC4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn23)CC1=O
InChIInChI=1S/C24H35N5O3/c1-18-7-10-29-20(16-25-15-19-14-22(30)28(17-19)11-12-32-2)23(26-21(29)13-18)24(31)27-8-5-3-4-6-9-27/h7,10,13,19,25H,3-6,8-9,11-12,14-17H2,1-2H3
InChIKeyDCWXPCKGOYISLG-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.24
Rot. Bonds8

About 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 45228640) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID45228640
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn23)CC1=O
InChIInChI=1S/C24H35N5O3/c1-18-7-10-29-20(16-25-15-19-14-22(30)28(17-19)11-12-32-2)23(26-21(29)13-18)24(31)27-8-5-3-4-6-9-27/h7,10,13,19,25H,3-6,8-9,11-12,14-17H2,1-2H3
InChIKeyDCWXPCKGOYISLG-UHFFFAOYSA-N
XLogP2.24
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one 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

azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
CID 29087201
(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 124752474
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 28882916
azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 31044096
[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 126461099
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 125169497
azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56881018
(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757291
azepan-1-yl-[7-methyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29215643
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 45228640) is 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn23)CC1=O.
What is the InChIKey of 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is DCWXPCKGOYISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-18-7-10-29-20(16-25-15-19-14-22(30)28(17-19)11-12-32-2)23(26-21(29)13-18)24(31)27-8-5-3-4-6-9-27/h7,10,13,19,25H,3-6,8-9,11-12,14-17H2,1-2H3.
What are the key properties of 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 441.58 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 45228640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).