2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile

C34H39N7O2 — CID 142961651

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1cn(C2CCN(Cc3ccc(-c4nc(N5CCN(CCO)CC5)c(C#N)cc4-c4ccccc4)cc3)CC2)c(=O)[nH]1
InChIInChI=1S/C34H39N7O2/c1-25-23-41(34(43)36-25)30-11-13-39(14-12-30)24-26-7-9-28(10-8-26)32-31(27-5-3-2-4-6-27)21-29(22-35)33(37-32)40-17-15-38(16-18-40)19-20-42/h2-10,21,23,30,42H,11-20,24H2,1H3,(H,36,43)
InChIKeyIANAUJTWAAGXBE-UHFFFAOYSA-N
MW577.73 g/mol
LogP4.04
Rot. Bonds8

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile

2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (PubChem CID 142961651) has the molecular formula C34H39N7O2 and a molecular weight of 577.73 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
PubChem CID142961651
Molecular FormulaC34H39N7O2
Molecular Weight577.73 g/mol
Exact Mass577.32
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1cn(C2CCN(Cc3ccc(-c4nc(N5CCN(CCO)CC5)c(C#N)cc4-c4ccccc4)cc3)CC2)c(=O)[nH]1
InChIInChI=1S/C34H39N7O2/c1-25-23-41(34(43)36-25)30-11-13-39(14-12-30)24-26-7-9-28(10-8-26)32-31(27-5-3-2-4-6-27)21-29(22-35)33(37-32)40-17-15-38(16-18-40)19-20-42/h2-10,21,23,30,42H,11-20,24H2,1H3,(H,36,43)
InChIKeyIANAUJTWAAGXBE-UHFFFAOYSA-N
XLogP4.04
TPSA104.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.73
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile with MolForge

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
CID 11422142
2-(methylamino)-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
CID 11237628
2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene
CID 142961682
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
5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile
CID 59338811
3-[1-[[4-(8-methyl-3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2,2,2-trifluoroacetic acid
CID 56588053
4-[4-[[4-(6-oxo-3-phenyl-5H-1,5-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 177349520
2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110431089
3-[1-[[4-(5,6-dimethyl-3-phenylpyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
CID 142818925
5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile
CID 11477491
1-[3-amino-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-2-pyridinyl]-3-methylurea
CID 142961669
4-[4-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-1,4-diazepan-1-yl]pyrimidine-2-carbonitrile
CID 177349912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (CID 142961651) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is Cc1cn(C2CCN(Cc3ccc(-c4nc(N5CCN(CCO)CC5)c(C#N)cc4-c4ccccc4)cc3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The InChIKey is IANAUJTWAAGXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O2/c1-25-23-41(34(43)36-25)30-11-13-39(14-12-30)24-26-7-9-28(10-8-26)32-31(27-5-3-2-4-6-27)21-29(22-35)33(37-32)40-17-15-38(16-18-40)19-20-42/h2-10,21,23,30,42H,11-20,24H2,1H3,(H,36,43).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile has a molecular weight of 577.73 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(5-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 142961651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).