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

C25H23N3O2 — CID 66668165

IUPACmethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C25H23N3O2/c1-30-24(29)20-9-5-16-28-22(18-7-3-2-4-8-18)21(27-23(20)28)17-10-12-19(13-11-17)25(26)14-6-15-25/h2-5,7-13,16H,6,14-15,26H2,1H3
InChIKeyDGPBENAULQWOSK-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.79
Rot. Bonds4

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

methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 66668165) 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-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID66668165
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C25H23N3O2/c1-30-24(29)20-9-5-16-28-22(18-7-3-2-4-8-18)21(27-23(20)28)17-10-12-19(13-11-17)25(26)14-6-15-25/h2-5,7-13,16H,6,14-15,26H2,1H3
InChIKeyDGPBENAULQWOSK-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate (CID 66668165) is methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12.
What is the InChIKey of methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is DGPBENAULQWOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-30-24(29)20-9-5-16-28-22(18-7-3-2-4-8-18)21(27-23(20)28)17-10-12-19(13-11-17)25(26)14-6-15-25/h2-5,7-13,16H,6,14-15,26H2,1H3.
What are the key properties of methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-8-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-8-carboxylate is sourced from PubChem (CID 66668165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).