azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C21H27N5O2 — CID 42594207

IUPACazepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CNCc3cc(C)no3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C21H27N5O2/c1-15-7-10-26-18(14-22-13-17-12-16(2)24-28-17)20(23-19(26)11-15)21(27)25-8-5-3-4-6-9-25/h7,10-12,22H,3-6,8-9,13-14H2,1-2H3
InChIKeyJPLFQEYDQPJTRE-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.25
Rot. Bonds5

About azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 42594207) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID42594207
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Nameazepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CNCc3cc(C)no3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C21H27N5O2/c1-15-7-10-26-18(14-22-13-17-12-16(2)24-28-17)20(23-19(26)11-15)21(27)25-8-5-3-4-6-9-25/h7,10-12,22H,3-6,8-9,13-14H2,1-2H3
InChIKeyJPLFQEYDQPJTRE-UHFFFAOYSA-N
XLogP3.25
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone 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
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56881018
[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 126461099
4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45228640
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
azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 31044096
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
[3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 45207558
azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42512739
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45176633
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 112771925

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 42594207) is azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is Cc1ccn2c(CNCc3cc(C)no3)c(C(=O)N3CCCCCC3)nc2c1.
What is the InChIKey of azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is JPLFQEYDQPJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-7-10-26-18(14-22-13-17-12-16(2)24-28-17)20(23-19(26)11-15)21(27)25-8-5-3-4-6-9-25/h7,10-12,22H,3-6,8-9,13-14H2,1-2H3.
What are the key properties of azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 42594207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).