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

C28H28N4O2 — CID 146589318

IUPACN-benzyl-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)ccn3c2NCc2ccccc2)cc1
InChIInChI=1S/C28H28N4O2/c1-19-27(20(2)34-31-19)23-15-16-32-26(17-23)30-25(14-11-21-9-12-24(33-3)13-10-21)28(32)29-18-22-7-5-4-6-8-22/h4-10,12-13,15-17,29H,11,14,18H2,1-3H3
InChIKeyRVBFDOPCRBXGNC-UHFFFAOYSA-N
MW452.56 g/mol
LogP6.01
Rot. Bonds8

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

N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 146589318) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-benzyl-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-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID146589318
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-benzyl-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)ccn3c2NCc2ccccc2)cc1
InChIInChI=1S/C28H28N4O2/c1-19-27(20(2)34-31-19)23-15-16-32-26(17-23)30-25(14-11-21-9-12-24(33-3)13-10-21)28(32)29-18-22-7-5-4-6-8-22/h4-10,12-13,15-17,29H,11,14,18H2,1-3H3
InChIKeyRVBFDOPCRBXGNC-UHFFFAOYSA-N
XLogP6.01
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-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-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine (CID 146589318) is N-benzyl-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-benzyl-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-benzyl-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)ccn3c2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is RVBFDOPCRBXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-19-27(20(2)34-31-19)23-15-16-32-26(17-23)30-25(14-11-21-9-12-24(33-3)13-10-21)28(32)29-18-22-7-5-4-6-8-22/h4-10,12-13,15-17,29H,11,14,18H2,1-3H3.
What are the key properties of N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine?
N-benzyl-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 452.56 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-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 146589318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).