N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine

C31H36N4O2 — CID 146524803

IUPACN-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C31H36N4O2/c1-19-29(20(2)37-34-19)25-10-11-35-28(15-25)32-27(9-6-21-4-7-26(36-3)8-5-21)30(35)33-31-16-22-12-23(17-31)14-24(13-22)18-31/h4-5,7-8,10-11,15,22-24,33H,6,9,12-14,16-18H2,1-3H3
InChIKeyHXJQDPCFXDGJBS-UHFFFAOYSA-N
MW496.66 g/mol
LogP6.78
Rot. Bonds7

About N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine

N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 146524803) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID146524803
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC NameN-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C31H36N4O2/c1-19-29(20(2)37-34-19)25-10-11-35-28(15-25)32-27(9-6-21-4-7-26(36-3)8-5-21)30(35)33-31-16-22-12-23(17-31)14-24(13-22)18-31/h4-5,7-8,10-11,15,22-24,33H,6,9,12-14,16-18H2,1-3H3
InChIKeyHXJQDPCFXDGJBS-UHFFFAOYSA-N
XLogP6.78
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine 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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine
CID 157176427
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 146589043
tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 146588960
N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine
CID 58564459
N-[4-[2-[3-(cyclohexylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]phenyl]-3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanamide
CID 164835729
N-[4-[2-[3-(cyclohexylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]phenyl]-8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]octanamide
CID 167660724
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine
CID 161357779
(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 122164732
3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-fluoro-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]cyclohex-3-ene-1-carboxylic acid
CID 167217356
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]-1,4-thiazinane 1-oxide
CID 138485126
N-cyclohexyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]imidazo[1,2-a]pyrazin-3-amine
CID 132585236

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (CID 146524803) is N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is HXJQDPCFXDGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-19-29(20(2)37-34-19)25-10-11-35-28(15-25)32-27(9-6-21-4-7-26(36-3)8-5-21)30(35)33-31-16-22-12-23(17-31)14-24(13-22)18-31/h4-5,7-8,10-11,15,22-24,33H,6,9,12-14,16-18H2,1-3H3.
What are the key properties of N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 496.66 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 146524803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).