[2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol

C24H21N3O — CID 123892848

IUPAC[2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol
SMILESNC1(c2ccc(-c3nc4cc(CO)c#cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C24H21N3O/c25-24(12-4-13-24)20-9-7-18(8-10-20)22-23(19-5-2-1-3-6-19)27-14-11-17(16-28)15-21(27)26-22/h1-3,5-10,15,28H,4,12-13,16,25H2
InChIKeyZPSYJDCFAXNVJP-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.10
Rot. Bonds4

About [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol

[2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 123892848) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID123892848
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name[2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol
SMILESNC1(c2ccc(-c3nc4cc(CO)c#cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C24H21N3O/c25-24(12-4-13-24)20-9-7-18(8-10-20)22-23(19-5-2-1-3-6-19)27-14-11-17(16-28)15-21(27)26-22/h1-3,5-10,15,28H,4,12-13,16,25H2
InChIKeyZPSYJDCFAXNVJP-UHFFFAOYSA-N
XLogP4.10
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155541112
1-[2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]ethanol
CID 56643576
[2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]methanol
CID 56643577
[2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-8-yl]methanol
CID 56643578
[2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]methanol
CID 56643789
1-[4-[6-(Methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 56646650
[4-[6-[4-(Anilinomethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155552852
[4-[6-(6-Amino-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155557803
[4-[6-(2-Methylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155559638
1-[4-(5-Methyl-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutanamine
CID 66665667
[4-(3-Phenylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanol
CID 155510371
[4-[6-[2-(Hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155560446

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol (CID 123892848) is [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol is NC1(c2ccc(-c3nc4cc(CO)c#cn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is ZPSYJDCFAXNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c25-24(12-4-13-24)20-9-7-18(8-10-20)22-23(19-5-2-1-3-6-19)27-14-11-17(16-28)15-21(27)26-22/h1-3,5-10,15,28H,4,12-13,16,25H2.
What are the key properties of [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol?
[2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 367.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 123892848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).