2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine

C29H29N5 — CID 90863445

IUPAC2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1nc(-c2cccc(-c3cc(-c4ccccc4)n(C(C)C)n3)n2)cc1-c1ccccc1
InChIInChI=1S/C29H29N5/c1-20(2)33-28(22-12-7-5-8-13-22)18-26(31-33)24-16-11-17-25(30-24)27-19-29(34(32-27)21(3)4)23-14-9-6-10-15-23/h5-21H,1-4H3
InChIKeyZEKPZFLANQOFNZ-UHFFFAOYSA-N
MW447.59 g/mol
LogP7.30
Rot. Bonds6

About 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine

2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine (PubChem CID 90863445) has the molecular formula C29H29N5 and a molecular weight of 447.59 g/mol. Its IUPAC name is 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine
PubChem CID90863445
Molecular FormulaC29H29N5
Molecular Weight447.59 g/mol
Exact Mass447.24
IUPAC Name2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1nc(-c2cccc(-c3cc(-c4ccccc4)n(C(C)C)n3)n2)cc1-c1ccccc1
InChIInChI=1S/C29H29N5/c1-20(2)33-28(22-12-7-5-8-13-22)18-26(31-33)24-16-11-17-25(30-24)27-19-29(34(32-27)21(3)4)23-14-9-6-10-15-23/h5-21H,1-4H3
InChIKeyZEKPZFLANQOFNZ-UHFFFAOYSA-N
XLogP7.30
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine
CID 139144099
5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
CID 90162115
3-phenyl-1-propan-2-ylpyrazole-5-carbonitrile
CID 121211337
2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid
CID 12029595
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
5-chloro-3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 70372932
phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
CID 134910036
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide
CID 121211345

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine?
The IUPAC name of 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine (CID 90863445) is 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine is CC(C)n1nc(-c2cccc(-c3cc(-c4ccccc4)n(C(C)C)n3)n2)cc1-c1ccccc1.
What is the InChIKey of 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine?
The InChIKey is ZEKPZFLANQOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5/c1-20(2)33-28(22-12-7-5-8-13-22)18-26(31-33)24-16-11-17-25(30-24)27-19-29(34(32-27)21(3)4)23-14-9-6-10-15-23/h5-21H,1-4H3.
What are the key properties of 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine?
2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine has a molecular weight of 447.59 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-phenyl-1-propan-2-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 90863445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).