methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate

C25H23N3O2 — CID 66665982

IUPACmethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1
InChIInChI=1S/C25H23N3O2/c1-30-24(29)19-12-15-28-21(16-19)27-22(23(28)18-6-3-2-4-7-18)17-8-10-20(11-9-17)25(26)13-5-14-25/h2-4,6-12,15-16H,5,13-14,26H2,1H3
InChIKeyFQSAGOQZJDXZJW-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.79
Rot. Bonds4

About methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 66665982) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID66665982
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1
InChIInChI=1S/C25H23N3O2/c1-30-24(29)19-12-15-28-21(16-19)27-22(23(28)18-6-3-2-4-7-18)17-8-10-20(11-9-17)25(26)13-5-14-25/h2-4,6-12,15-16H,5,13-14,26H2,1H3
InChIKeyFQSAGOQZJDXZJW-UHFFFAOYSA-N
XLogP4.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate 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 methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate (CID 66665982) is methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1.
What is the InChIKey of methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is FQSAGOQZJDXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-30-24(29)19-12-15-28-21(16-19)27-22(23(28)18-6-3-2-4-7-18)17-8-10-20(11-9-17)25(26)13-5-14-25/h2-4,6-12,15-16H,5,13-14,26H2,1H3.
What are the key properties of methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 66665982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).