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

C25H30N4O2 — CID 146589039

IUPACN-tert-butyl-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)ccn3c2NC(C)(C)C)cc1
InChIInChI=1S/C25H30N4O2/c1-16-23(17(2)31-28-16)19-13-14-29-22(15-19)26-21(24(29)27-25(3,4)5)12-9-18-7-10-20(30-6)11-8-18/h7-8,10-11,13-15,27H,9,12H2,1-6H3
InChIKeySNKTZQXUTDLHTJ-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.61
Rot. Bonds6

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

N-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 146589039) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-tert-butyl-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-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID146589039
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-tert-butyl-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)ccn3c2NC(C)(C)C)cc1
InChIInChI=1S/C25H30N4O2/c1-16-23(17(2)31-28-16)19-13-14-29-22(15-19)26-21(24(29)27-25(3,4)5)12-9-18-7-10-20(30-6)11-8-18/h7-8,10-11,13-15,27H,9,12H2,1-6H3
InChIKeySNKTZQXUTDLHTJ-UHFFFAOYSA-N
XLogP5.61
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-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-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (CID 146589039) is N-tert-butyl-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-tert-butyl-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-tert-butyl-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)ccn3c2NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is SNKTZQXUTDLHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-16-23(17(2)31-28-16)19-13-14-29-22(15-19)26-21(24(29)27-25(3,4)5)12-9-18-7-10-20(30-6)11-8-18/h7-8,10-11,13-15,27H,9,12H2,1-6H3.
What are the key properties of N-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
N-tert-butyl-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 418.54 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-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 146589039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).