4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile

C24H25N5O2 — CID 118614530

IUPAC4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile
SMILESCn1c(-c2ccc(CO)cc2)c(-c2ccc(C#N)cc2)nc(N2CCC(N)CC2)c1=O
InChIInChI=1S/C24H25N5O2/c1-28-22(19-8-4-17(15-30)5-9-19)21(18-6-2-16(14-25)3-7-18)27-23(24(28)31)29-12-10-20(26)11-13-29/h2-9,20,30H,10-13,15,26H2,1H3
InChIKeyVNFIBVFXKFBRPX-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.41
Rot. Bonds4

About 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile

4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile (PubChem CID 118614530) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile
PubChem CID118614530
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile
SMILESCn1c(-c2ccc(CO)cc2)c(-c2ccc(C#N)cc2)nc(N2CCC(N)CC2)c1=O
InChIInChI=1S/C24H25N5O2/c1-28-22(19-8-4-17(15-30)5-9-19)21(18-6-2-16(14-25)3-7-18)27-23(24(28)31)29-12-10-20(26)11-13-29/h2-9,20,30H,10-13,15,26H2,1H3
InChIKeyVNFIBVFXKFBRPX-UHFFFAOYSA-N
XLogP2.41
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile 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

4-[6-(4-aminopiperidin-1-yl)-4-(3-methoxypropyl)-3-(4-methylphenyl)-5-oxopyrazin-2-yl]benzonitrile
CID 118610146
tert-butyl 2-[1-[6-(4-cyanophenyl)-4-methyl-5-(4-methylphenyl)-3-oxopyrazin-2-yl]piperidin-4-yl]acetate
CID 147745584
3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
CID 129140742
tert-butyl N-[1-[6-(4-cyanophenyl)-4-methyl-5-(4-methylphenyl)-3-oxopyrazin-2-yl]piperidin-4-yl]carbamate
CID 118610209
4-[6-(4-aminopiperidin-1-yl)-4-ethyl-3-[4-(methoxymethyl)phenyl]-5-oxopyrazin-2-yl]-2-fluorobenzonitrile
CID 129130561
4-[2-(4-aminopiperidin-1-yl)-1-methyl-6-oxo-5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]benzonitrile
CID 163693180
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]benzonitrile
CID 118490179
4-[5-(4-aminopiperidin-1-yl)-1-(cyclopropylmethyl)-2-(4-methoxyphenyl)-6-oxo-3-pyridinyl]benzonitrile
CID 118614677
5-[5-(4-aminopiperidin-1-yl)-2-(4-methoxyphenyl)-1-methyl-6-oxo-3-pyridinyl]pyridine-2-carbonitrile
CID 118610219
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
4-[2-(4-aminopiperidin-1-yl)-5-(3,3-dimethylbut-1-ynyl)-6-oxo-1H-pyrimidin-4-yl]benzonitrile
CID 136991293
4-[2-(4-aminopiperidin-1-yl)-5-(3-hydroxy-3-methylbut-1-ynyl)-1,3-thiazol-4-yl]benzonitrile
CID 118633144

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile?
The IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile (CID 118614530) is 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile?
The canonical SMILES for 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile is Cn1c(-c2ccc(CO)cc2)c(-c2ccc(C#N)cc2)nc(N2CCC(N)CC2)c1=O.
What is the InChIKey of 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile?
The InChIKey is VNFIBVFXKFBRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-22(19-8-4-17(15-30)5-9-19)21(18-6-2-16(14-25)3-7-18)27-23(24(28)31)29-12-10-20(26)11-13-29/h2-9,20,30H,10-13,15,26H2,1H3.
What are the key properties of 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile?
4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile has a molecular weight of 415.50 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile is sourced from PubChem (CID 118614530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).