8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine

C26H26N2O — CID 132597671

IUPAC8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2ncc3c(/C(=C/C(C)(C)C)c4ccccc4)cccn23)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)17-23(19-9-6-5-7-10-19)22-11-8-16-28-24(22)18-27-25(28)20-12-14-21(29-4)15-13-20/h5-18H,1-4H3/b23-17+
InChIKeyHZQATSSBZULBGN-HAVVHWLPSA-N
MW382.51 g/mol
LogP6.49
Rot. Bonds4

About 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine

8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine (PubChem CID 132597671) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
PubChem CID132597671
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2ncc3c(/C(=C/C(C)(C)C)c4ccccc4)cccn23)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)17-23(19-9-6-5-7-10-19)22-11-8-16-28-24(22)18-27-25(28)20-12-14-21(29-4)15-13-20/h5-18H,1-4H3/b23-17+
InChIKeyHZQATSSBZULBGN-HAVVHWLPSA-N
XLogP6.49
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine
CID 132597677
8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine
CID 134847912
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252602
1-chloro-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117250855
4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158606
4-(8-methylimidazo[1,5-a]pyridin-3-yl)phenol
CID 137006648
[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-pyridin-2-ylmethanone
CID 11023969
3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
CID 139262366
N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 59408569
3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-7-ol
CID 117144792
3-(4-methoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 117144790
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine (CID 132597671) is 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine is COc1ccc(-c2ncc3c(/C(=C/C(C)(C)C)c4ccccc4)cccn23)cc1.
What is the InChIKey of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
The InChIKey is HZQATSSBZULBGN-HAVVHWLPSA-N. The full InChI is InChI=1S/C26H26N2O/c1-26(2,3)17-23(19-9-6-5-7-10-19)22-11-8-16-28-24(22)18-27-25(28)20-12-14-21(29-4)15-13-20/h5-18H,1-4H3/b23-17+.
What are the key properties of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine has a molecular weight of 382.51 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 132597671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).