methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate

C25H22ClN3O2 — CID 56645236

IUPACmethyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H22ClN3O2/c1-31-24(30)18-14-20(26)23-28-21(22(29(23)15-18)17-6-3-2-4-7-17)16-8-10-19(11-9-16)25(27)12-5-13-25/h2-4,6-11,14-15H,5,12-13,27H2,1H3
InChIKeyYODVXSCOWOEGCP-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.45
Rot. Bonds4

About methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 56645236) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID56645236
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H22ClN3O2/c1-31-24(30)18-14-20(26)23-28-21(22(29(23)15-18)17-6-3-2-4-7-17)16-8-10-19(11-9-16)25(27)12-5-13-25/h2-4,6-11,14-15H,5,12-13,27H2,1H3
InChIKeyYODVXSCOWOEGCP-UHFFFAOYSA-N
XLogP5.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate 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

CID 3845864
CID 3845864
CID 16195235
CID 16195235
CID 51359030
CID 51359030
CID 51359034
CID 51359034
CID 51359798
CID 51359798
CID 53299407
CID 53299407
CID 53299415
CID 53299415
CID 155559723
CID 155559723
CID 156016147
CID 156016147
CID 56644406
CID 56644406
CID 56644615
CID 56644615
CID 56644830
CID 56644830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate (CID 56645236) is methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.
What is the InChIKey of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is YODVXSCOWOEGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-31-24(30)18-14-20(26)23-28-21(22(29(23)15-18)17-6-3-2-4-7-17)16-8-10-19(11-9-16)25(27)12-5-13-25/h2-4,6-11,14-15H,5,12-13,27H2,1H3.
What are the key properties of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 431.92 g/mol, XLogP of 5.45, 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]-8-chloro-3-phenylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 56645236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).