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

C22H29N5O2 — CID 29215643

IUPACazepan-1-yl-[7-methyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CN(C)[C@@H](C)c3ccon3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C22H29N5O2/c1-16-8-12-27-19(15-25(3)17(2)18-9-13-29-24-18)21(23-20(27)14-16)22(28)26-10-6-4-5-7-11-26/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3/t17-/m0/s1
InChIKeyIJJNRUQOKKNIKQ-KRWDZBQOSA-N
MW395.51 g/mol
LogP3.84
Rot. Bonds5

About 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

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 (PubChem CID 29215643) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameazepan-1-yl-[7-methyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID29215643
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Nameazepan-1-yl-[7-methyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CN(C)[C@@H](C)c3ccon3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C22H29N5O2/c1-16-8-12-27-19(15-25(3)17(2)18-9-13-29-24-18)21(23-20(27)14-16)22(28)26-10-6-4-5-7-11-26/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3/t17-/m0/s1
InChIKeyIJJNRUQOKKNIKQ-KRWDZBQOSA-N
XLogP3.84
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56881018
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-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42594207
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 31044096
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-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56865999
N,8-dimethyl-3-[[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226148
N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226147
azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
CID 29087201
7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122070
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 99958125

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccn2c(CN(C)[C@@H](C)c3ccon3)c(C(=O)N3CCCCCC3)nc2c1.
What is the InChIKey of 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?
The InChIKey is IJJNRUQOKKNIKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-8-12-27-19(15-25(3)17(2)18-9-13-29-24-18)21(23-20(27)14-16)22(28)26-10-6-4-5-7-11-26/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 395.51 g/mol, XLogP of 3.84, 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-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 29215643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).