1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine

C28H22N4 — CID 132965985

IUPAC1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2nc(-c3nc(-c4ccc(C)cc4)c4ccccn34)n3ccccc23)cc1
InChIInChI=1S/C28H22N4/c1-19-9-13-21(14-10-19)25-23-7-3-5-17-31(23)27(29-25)28-30-26(22-15-11-20(2)12-16-22)24-8-4-6-18-32(24)28/h3-18H,1-2H3
InChIKeyZGVSTIBIBIXFAB-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.60
Rot. Bonds3

About 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine

1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine (PubChem CID 132965985) has the molecular formula C28H22N4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
PubChem CID132965985
Molecular FormulaC28H22N4
Molecular Weight414.51 g/mol
Exact Mass414.18
IUPAC Name1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2nc(-c3nc(-c4ccc(C)cc4)c4ccccn34)n3ccccc23)cc1
InChIInChI=1S/C28H22N4/c1-19-9-13-21(14-10-19)25-23-7-3-5-17-31(23)27(29-25)28-30-26(22-15-11-20(2)12-16-22)24-8-4-6-18-32(24)28/h3-18H,1-2H3
InChIKeyZGVSTIBIBIXFAB-UHFFFAOYSA-N
XLogP6.60
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
3-(3,5-dinaphthalen-2-ylphenyl)-1-phenylimidazo[1,5-a]pyridine
CID 129257002
1-(4-chlorophenyl)-3-(2-fluorophenyl)imidazo[1,5-a]pyridine
CID 132581655
3-(2-fluorophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 132581650
[3-(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl] 4-methylbenzoate
CID 21178049
3-(furan-2-yl)-1-phenylimidazo[1,5-a]pyridine
CID 728608
7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762
4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline
CID 56925517
1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 118322669
3-bromo-1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 172515069
1-phenyl-3-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)ethyl]imidazo[1,5-a]pyridine
CID 132506858

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine (CID 132965985) is 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine is Cc1ccc(-c2nc(-c3nc(-c4ccc(C)cc4)c4ccccn34)n3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is ZGVSTIBIBIXFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4/c1-19-9-13-21(14-10-19)25-23-7-3-5-17-31(23)27(29-25)28-30-26(22-15-11-20(2)12-16-22)24-8-4-6-18-32(24)28/h3-18H,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine?
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine has a molecular weight of 414.51 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 132965985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).