5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile

C32H28N6 — CID 11477491

IUPAC5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(n4cc(-c5ccccn5)cn4)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C32H28N6/c33-19-25-18-30(26-6-2-1-3-7-26)32(35-20-25)27-11-9-24(10-12-27)22-37-16-13-29(14-17-37)38-23-28(21-36-38)31-8-4-5-15-34-31/h1-12,15,18,20-21,23,29H,13-14,16-17,22H2
InChIKeyLKBXSHHEBXJUDX-UHFFFAOYSA-N
MW496.62 g/mol
LogP6.38
Rot. Bonds6

About 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile

5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile (PubChem CID 11477491) has the molecular formula C32H28N6 and a molecular weight of 496.62 g/mol. Its IUPAC name is 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile
PubChem CID11477491
Molecular FormulaC32H28N6
Molecular Weight496.62 g/mol
Exact Mass496.24
IUPAC Name5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccc(CN3CCC(n4cc(-c5ccccn5)cn4)CC3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C32H28N6/c33-19-25-18-30(26-6-2-1-3-7-26)32(35-20-25)27-11-9-24(10-12-27)22-37-16-13-29(14-17-37)38-23-28(21-36-38)31-8-4-5-15-34-31/h1-12,15,18,20-21,23,29H,13-14,16-17,22H2
InChIKeyLKBXSHHEBXJUDX-UHFFFAOYSA-N
XLogP6.38
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile (CID 11477491) is 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile is N#Cc1cnc(-c2ccc(CN3CCC(n4cc(-c5ccccn5)cn4)CC3)cc2)c(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile?
The InChIKey is LKBXSHHEBXJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6/c33-19-25-18-30(26-6-2-1-3-7-26)32(35-20-25)27-11-9-24(10-12-27)22-37-16-13-29(14-17-37)38-23-28(21-36-38)31-8-4-5-15-34-31/h1-12,15,18,20-21,23,29H,13-14,16-17,22H2.
What are the key properties of 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile?
5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile has a molecular weight of 496.62 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 11477491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).