2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile

C32H36N8O2 — CID 162484761

IUPAC2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile
SMILESCOc1ncc(-c2cnc(C(C(=O)CC(C)C)C3CCC(Cc4ncc(C#N)c(C5=NCC=C5C)n4)CC3)cn2)cn1
InChIInChI=1S/C32H36N8O2/c1-19(2)11-27(41)29(26-18-35-25(17-36-26)24-15-38-32(42-4)39-16-24)22-7-5-21(6-8-22)12-28-37-14-23(13-33)31(40-28)30-20(3)9-10-34-30/h9,14-19,21-22,29H,5-8,10-12H2,1-4H3
InChIKeyZFPMEVWCLBBTJF-UHFFFAOYSA-N
MW564.69 g/mol
LogP5.10
Rot. Bonds10

About 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile

2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile (PubChem CID 162484761) has the molecular formula C32H36N8O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile
PubChem CID162484761
Molecular FormulaC32H36N8O2
Molecular Weight564.69 g/mol
Exact Mass564.30
IUPAC Name2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile
SMILESCOc1ncc(-c2cnc(C(C(=O)CC(C)C)C3CCC(Cc4ncc(C#N)c(C5=NCC=C5C)n4)CC3)cn2)cn1
InChIInChI=1S/C32H36N8O2/c1-19(2)11-27(41)29(26-18-35-25(17-36-26)24-15-38-32(42-4)39-16-24)22-7-5-21(6-8-22)12-28-37-14-23(13-33)31(40-28)30-20(3)9-10-34-30/h9,14-19,21-22,29H,5-8,10-12H2,1-4H3
InChIKeyZFPMEVWCLBBTJF-UHFFFAOYSA-N
XLogP5.10
TPSA139.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[5-tert-butyl-4-(4-chloro-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-1-(3-fluoroazetidin-1-yl)-2-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]ethanone
CID 162484872
2-[4-[[5-cyano-4-(4-methyl-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-2-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N,N-dimethylacetamide
CID 162484516
1-[4-[[5-tert-butyl-4-(4-methyl-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-5,5-dimethylhexan-2-one
CID 162484551
4-(4-methyl-2H-pyrrol-5-yl)-2-[[4-(2-oxo-4-phenyl-1-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidine-5-carbonitrile
CID 162484554
1-[4-[[5-tert-butyl-4-(3,4-dimethyl-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-5-methylhexan-2-one
CID 162484575
4-[5-[1-[4-[[5-tert-butyl-4-(4-methyl-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-(1-methylcyclopropyl)-2-oxobutyl]pyrazin-2-yl]-1-methylpyridin-2-one
CID 162484638
1-[4-[[5-tert-butyl-4-(4-methyl-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-(1-methylcyclopropyl)butan-2-one
CID 162484685
1-[4-[[5-tert-butyl-4-(4-methyl-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-5-methylhexan-2-one
CID 162484693
2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrimidin-2-yl]-2-oxo-4-phenylbutyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile
CID 162484700
1-[4-[[5-Tert-butyl-4-(2-cyclobutylethyl)pyrimidin-2-yl]methyl]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-phenylbutan-2-one
CID 162484704
2-[[4-[1-(5-methylpyrazin-2-yl)-2-oxo-4-phenylbutyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile
CID 162484706
2,2-dimethylpropyl 2-[4-[[5-tert-butyl-4-(4-methyl-2H-pyrrol-5-yl)pyrimidin-2-yl]methyl]cyclohexyl]-2-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]acetate
CID 162484745

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile (CID 162484761) is 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile is COc1ncc(-c2cnc(C(C(=O)CC(C)C)C3CCC(Cc4ncc(C#N)c(C5=NCC=C5C)n4)CC3)cn2)cn1.
What is the InChIKey of 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile?
The InChIKey is ZFPMEVWCLBBTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2/c1-19(2)11-27(41)29(26-18-35-25(17-36-26)24-15-38-32(42-4)39-16-24)22-7-5-21(6-8-22)12-28-37-14-23(13-33)31(40-28)30-20(3)9-10-34-30/h9,14-19,21-22,29H,5-8,10-12H2,1-4H3.
What are the key properties of 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile?
2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile has a molecular weight of 564.69 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-4-methyl-2-oxopentyl]cyclohexyl]methyl]-4-(4-methyl-2H-pyrrol-5-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 162484761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).