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

C26H25N3O2 — CID 56644615

IUPACethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C26H25N3O2/c1-2-31-25(30)21-10-6-17-29-23(19-8-4-3-5-9-19)22(28-24(21)29)18-11-13-20(14-12-18)26(27)15-7-16-26/h3-6,8-14,17H,2,7,15-16,27H2,1H3
InChIKeyJHQZYACKMYYVOI-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.18
Rot. Bonds5

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

ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 56644615) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID56644615
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Nameethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C26H25N3O2/c1-2-31-25(30)21-10-6-17-29-23(19-8-4-3-5-9-19)22(28-24(21)29)18-11-13-20(14-12-18)26(27)15-7-16-26/h3-6,8-14,17H,2,7,15-16,27H2,1H3
InChIKeyJHQZYACKMYYVOI-UHFFFAOYSA-N
XLogP5.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate (CID 56644615) is ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12.
What is the InChIKey of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is JHQZYACKMYYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-31-25(30)21-10-6-17-29-23(19-8-4-3-5-9-19)22(28-24(21)29)18-11-13-20(14-12-18)26(27)15-7-16-26/h3-6,8-14,17H,2,7,15-16,27H2,1H3.
What are the key properties of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 411.51 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 56644615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).