1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol

C25H25N3O — CID 56643576

IUPAC1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol
SMILESCC(O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H25N3O/c1-17(29)20-10-13-22-27-23(24(28(22)16-20)19-6-3-2-4-7-19)18-8-11-21(12-9-18)25(26)14-5-15-25/h2-4,6-13,16-17,29H,5,14-15,26H2,1H3
InChIKeyVDKHXAAHUVGQOQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.06
Rot. Bonds4

About 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol

1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol (PubChem CID 56643576) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol.

Molecular Properties

Compound Name1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol
PubChem CID56643576
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol
SMILESCC(O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H25N3O/c1-17(29)20-10-13-22-27-23(24(28(22)16-20)19-6-3-2-4-7-19)18-8-11-21(12-9-18)25(26)14-5-15-25/h2-4,6-13,16-17,29H,5,14-15,26H2,1H3
InChIKeyVDKHXAAHUVGQOQ-UHFFFAOYSA-N
XLogP5.06
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol?
The IUPAC name of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol (CID 56643576) is 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol.
What is the SMILES notation for 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol?
The canonical SMILES for 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol is CC(O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.
What is the InChIKey of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol?
The InChIKey is VDKHXAAHUVGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17(29)20-10-13-22-27-23(24(28(22)16-20)19-6-3-2-4-7-19)18-8-11-21(12-9-18)25(26)14-5-15-25/h2-4,6-13,16-17,29H,5,14-15,26H2,1H3.
What are the key properties of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol?
1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol has a molecular weight of 383.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol is sourced from PubChem (CID 56643576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).