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

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Related Compounds

2-methyl-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 168810806
2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 25190278
3-[(1R,9S)-6-oxo-11-[(4-pyridin-2-ylphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile
CID 40533517
ethane;4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-phenylpyrimidine
CID 90852853
3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one
CID 166993889
3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11607100
2-chloro-6-[4-[[4-(4-oxido-2-oxo-3,5-dihydroimidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
CID 142961691
ethane;2-methoxy-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 143208182
5-phenyl-2-(pyridin-2-ylmethyl)-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidine
CID 123855538
2-methyl-6-phenyl-5-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46868852
3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 141118795
3-phenyl-2-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11663661

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).