2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile

C27H26N6O2 — CID 143116198

IUPAC2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCCC2)cc(=O)n(Cc2ccc(-n3cccn3)cc2)c1=O
InChIInChI=1S/C27H26N6O2/c28-18-22-7-2-3-8-23(22)20-31-25(30-14-4-1-5-15-30)17-26(34)32(27(31)35)19-21-9-11-24(12-10-21)33-16-6-13-29-33/h2-3,6-13,16-17H,1,4-5,14-15,19-20H2
InChIKeyUMGDFOBIRBSEAO-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.15
Rot. Bonds6

About 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile

2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile (PubChem CID 143116198) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile
PubChem CID143116198
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCCC2)cc(=O)n(Cc2ccc(-n3cccn3)cc2)c1=O
InChIInChI=1S/C27H26N6O2/c28-18-22-7-2-3-8-23(22)20-31-25(30-14-4-1-5-15-30)17-26(34)32(27(31)35)19-21-9-11-24(12-10-21)33-16-6-13-29-33/h2-3,6-13,16-17H,1,4-5,14-15,19-20H2
InChIKeyUMGDFOBIRBSEAO-UHFFFAOYSA-N
XLogP3.15
TPSA88.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile
CID 143251504
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 11487504
6-[[6-[(3S)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonitrile
CID 76974260
2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
CID 123666107
2-[[3-[(4-amino-2,3-dihydrothiophen-5-yl)methyl]-6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 70849791
2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuteriomethyl)pyrimidin-1-yl]methyl]benzonitrile
CID 71313111
2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuterio(113C)methyl)pyrimidin-1-yl]methyl]benzonitrile
CID 129009613
2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile
CID 56873300
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11392716
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 16658243
2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
CID 67122509

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile (CID 143116198) is 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1c(N2CCCCC2)cc(=O)n(Cc2ccc(-n3cccn3)cc2)c1=O.
What is the InChIKey of 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile?
The InChIKey is UMGDFOBIRBSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c28-18-22-7-2-3-8-23(22)20-31-25(30-14-4-1-5-15-30)17-26(34)32(27(31)35)19-21-9-11-24(12-10-21)33-16-6-13-29-33/h2-3,6-13,16-17H,1,4-5,14-15,19-20H2.
What are the key properties of 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile?
2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile has a molecular weight of 466.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 143116198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).