5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C32H32N4 — CID 161334048

IUPAC5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1ccc(-c2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1
InChIInChI=1S/C32H32N4/c1-2-10-27(11-3-1)28-12-6-13-29(24-28)30-14-7-15-32-33-31(34-36(30)32)23-26-18-16-25(17-19-26)9-8-22-35-20-4-5-21-35/h1-3,6-7,10-19,24H,4-5,8-9,20-23H2
InChIKeyGFRSSGWCXCDPSO-UHFFFAOYSA-N
MW472.64 g/mol
LogP6.68
Rot. Bonds8

About 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 161334048) has the molecular formula C32H32N4 and a molecular weight of 472.64 g/mol. Its IUPAC name is 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID161334048
Molecular FormulaC32H32N4
Molecular Weight472.64 g/mol
Exact Mass472.26
IUPAC Name5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1ccc(-c2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1
InChIInChI=1S/C32H32N4/c1-2-10-27(11-3-1)28-12-6-13-29(24-28)30-14-7-15-32-33-31(34-36(30)32)23-26-18-16-25(17-19-26)9-8-22-35-20-4-5-21-35/h1-3,6-7,10-19,24H,4-5,8-9,20-23H2
InChIKeyGFRSSGWCXCDPSO-UHFFFAOYSA-N
XLogP6.68
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
CID 160702575
5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157430766
5-[3-[(2-methoxyphenyl)methoxy]phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158283105
5-(1-propylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158444772
N-(3-chlorophenyl)-3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
CID 160683417
5-[1-(3-methylbutyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 159825128
5-[1-(2-ethylbutyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158444775
5-(1-cyclohexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158110481
5-(1-propylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158110479
N-(2-hydroxyethyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide
CID 158338085
5-[1-[(3-methoxyphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 159926023
2-methyl-5-[2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethylsulfanyl]-1,3,4-thiadiazole
CID 160747215

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 161334048) is 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is c1ccc(-c2cccc(-c3cccc4nc(Cc5ccc(CCCN6CCCC6)cc5)nn34)c2)cc1.
What is the InChIKey of 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GFRSSGWCXCDPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4/c1-2-10-27(11-3-1)28-12-6-13-29(24-28)30-14-7-15-32-33-31(34-36(30)32)23-26-18-16-25(17-19-26)9-8-22-35-20-4-5-21-35/h1-3,6-7,10-19,24H,4-5,8-9,20-23H2.
What are the key properties of 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 472.64 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 161334048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).