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

C21H27N5O2 — CID 56881018

IUPACazepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CN(C)Cc3ccno3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C21H27N5O2/c1-16-8-12-26-18(15-24(2)14-17-7-9-22-28-17)20(23-19(26)13-16)21(27)25-10-5-3-4-6-11-25/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKeyBQUVESBWLABERC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.28
Rot. Bonds5

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

azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 56881018) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID56881018
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Nameazepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CN(C)Cc3ccno3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C21H27N5O2/c1-16-8-12-26-18(15-24(2)14-17-7-9-22-28-17)20(23-19(26)13-16)21(27)25-10-5-3-4-6-11-25/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKeyBQUVESBWLABERC-UHFFFAOYSA-N
XLogP3.28
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(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-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42594207
azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 31044096
[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 28783501
7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122070
azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
CID 29087201
azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29214811
azocan-1-yl-[5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 30852089
3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122077
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45228640

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 56881018) is azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is Cc1ccn2c(CN(C)Cc3ccno3)c(C(=O)N3CCCCCC3)nc2c1.
What is the InChIKey of azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BQUVESBWLABERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-8-12-26-18(15-24(2)14-17-7-9-22-28-17)20(23-19(26)13-16)21(27)25-10-5-3-4-6-11-25/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3.
What are the key properties of azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 56881018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).