1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C33H39F3N8O2 — CID 137083311

IUPAC1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.O=c1[nH]c(Cc2ccccc2C(F)(F)F)nc2c1cnn2C1CCCC1
InChIInChI=1S/C18H17F3N4O.C15H22N4O/c19-18(20,21)14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12;1-10(2)8-13-17-14-12(15(20)18-13)9-16-19(14)11-6-4-3-5-7-11/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26);9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyMPMFBPBKQJUGBQ-UHFFFAOYSA-N
MW636.72 g/mol
LogP6.67
Rot. Bonds6

About 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137083311) has the molecular formula C33H39F3N8O2 and a molecular weight of 636.72 g/mol. Its IUPAC name is 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137083311
Molecular FormulaC33H39F3N8O2
Molecular Weight636.72 g/mol
Exact Mass636.31
IUPAC Name1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.O=c1[nH]c(Cc2ccccc2C(F)(F)F)nc2c1cnn2C1CCCC1
InChIInChI=1S/C18H17F3N4O.C15H22N4O/c19-18(20,21)14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12;1-10(2)8-13-17-14-12(15(20)18-13)9-16-19(14)11-6-4-3-5-7-11/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26);9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyMPMFBPBKQJUGBQ-UHFFFAOYSA-N
XLogP6.67
TPSA127.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.72
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one 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

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-[(3S,4S)-1-(4-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886489
5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 648708
trans-1-cyclopentyl-6-(4-methyl-1-(3-methylbenzyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860086
1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873914
trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135875901
PDE-9 inhibitor
CID 135886459
6-[(3S,4S)-1-(3-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886483
6-[(3S,4S)-1-benzyl-4-ethylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886491
6-[(3S,4S)-1-(2-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886495
7,7-Dimethyl-5-phenyl-N-{1-propyl-1-[4-(trifluoromethyl)phenyl]-butyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059341

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137083311) is 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.O=c1[nH]c(Cc2ccccc2C(F)(F)F)nc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MPMFBPBKQJUGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O.C15H22N4O/c19-18(20,21)14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12;1-10(2)8-13-17-14-12(15(20)18-13)9-16-19(14)11-6-4-3-5-7-11/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26);9-11H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 636.72 g/mol, XLogP of 6.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137083311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).