tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C26H30N4O3 — CID 146588960

IUPACtert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCc1noc(C)c1-c1ccn2c(NCC(=O)OC(C)(C)C)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C26H30N4O3/c1-17-24(18(2)33-29-17)20-13-14-30-22(15-20)28-21(12-11-19-9-7-6-8-10-19)25(30)27-16-23(31)32-26(3,4)5/h6-10,13-15,27H,11-12,16H2,1-5H3
InChIKeyKLJMRILPGVDQRY-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.14
Rot. Bonds7

About tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 146588960) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID146588960
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Nametert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCc1noc(C)c1-c1ccn2c(NCC(=O)OC(C)(C)C)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C26H30N4O3/c1-17-24(18(2)33-29-17)20-13-14-30-22(15-20)28-21(12-11-19-9-7-6-8-10-19)25(30)27-16-23(31)32-26(3,4)5/h6-10,13-15,27H,11-12,16H2,1-5H3
InChIKeyKLJMRILPGVDQRY-UHFFFAOYSA-N
XLogP5.14
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

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Related Compounds

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
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
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
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
tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate
CID 121384123
1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 42694847
ethyl 2-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808590
N-cyclohexyl-7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 808952
N-benzyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 808661
6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 137410595
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of 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) is tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is Cc1noc(C)c1-c1ccn2c(NCC(=O)OC(C)(C)C)c(CCc3ccccc3)nc2c1.
What is the InChIKey of tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is KLJMRILPGVDQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17-24(18(2)33-29-17)20-13-14-30-22(15-20)28-21(12-11-19-9-7-6-8-10-19)25(30)27-16-23(31)32-26(3,4)5/h6-10,13-15,27H,11-12,16H2,1-5H3.
What are the key properties of tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 446.55 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 146588960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).