6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C98H107ClF7N25O11 — CID 157261533

IUPAC6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1.O=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccc(F)c(Cl)c2)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2cccnc2)nc2c1cnn2C1CCOC1
InChIInChI=1S/C18H17F3N4O.C17H15F3N4O3.C17H24N4O.C16H14ClFN4O2.C15H15N5O2.C15H22N4O2/c19-18(20,21)12-5-3-4-11(8-12)9-15-23-16-14(17(26)24-15)10-22-25(16)13-6-1-2-7-13;18-17(19,20)27-13-4-2-1-3-10(13)7-14-22-15-12(16(25)23-14)8-21-24(15)11-5-6-26-9-11;22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12;17-12-5-9(1-2-13(12)18)6-14-20-15-11(16(23)21-14)7-19-22(15)10-3-4-24-8-10;21-15-12-8-17-20(11-3-5-22-9-11)14(12)18-13(19-15)6-10-2-1-4-16-7-10;1-3-10(4-2)7-13-17-14-12(15(20)18-13)8-16-19(14)11-5-6-21-9-11/h3-5,8,10,13H,1-2,6-7,9H2,(H,23,24,26);1-4,8,11H,5-7,9H2,(H,22,23,25);11-13H,1-10H2,(H,19,20,22);1-2,5,7,10H,3-4,6,8H2,(H,20,21,23);1-2,4,7-8,11H,3,5-6,9H2,(H,18,19,21);8,10-11H,3-7,9H2,1-2H3,(H,17,18,20)
InChIKeyAXNFRNSYLZQITF-UHFFFAOYSA-N
MW1979.54 g/mol
LogP15.36
Rot. Bonds21

About 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 157261533) has the molecular formula C98H107ClF7N25O11 and a molecular weight of 1979.54 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID157261533
Molecular FormulaC98H107ClF7N25O11
Molecular Weight1979.54 g/mol
Exact Mass1977.82
IUPAC Name6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(CC)Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1.O=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccc(F)c(Cl)c2)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2cccnc2)nc2c1cnn2C1CCOC1
InChIInChI=1S/C18H17F3N4O.C17H15F3N4O3.C17H24N4O.C16H14ClFN4O2.C15H15N5O2.C15H22N4O2/c19-18(20,21)12-5-3-4-11(8-12)9-15-23-16-14(17(26)24-15)10-22-25(16)13-6-1-2-7-13;18-17(19,20)27-13-4-2-1-3-10(13)7-14-22-15-12(16(25)23-14)8-21-24(15)11-5-6-26-9-11;22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12;17-12-5-9(1-2-13(12)18)6-14-20-15-11(16(23)21-14)7-19-22(15)10-3-4-24-8-10;21-15-12-8-17-20(11-3-5-22-9-11)14(12)18-13(19-15)6-10-2-1-4-16-7-10;1-3-10(4-2)7-13-17-14-12(15(20)18-13)8-16-19(14)11-5-6-21-9-11/h3-5,8,10,13H,1-2,6-7,9H2,(H,23,24,26);1-4,8,11H,5-7,9H2,(H,22,23,25);11-13H,1-10H2,(H,19,20,22);1-2,5,7,10H,3-4,6,8H2,(H,20,21,23);1-2,4,7-8,11H,3,5-6,9H2,(H,18,19,21);8,10-11H,3-7,9H2,1-2H3,(H,17,18,20)
InChIKeyAXNFRNSYLZQITF-UHFFFAOYSA-N
XLogP15.36
TPSA440.46 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001979.54
LogP ≤ 515.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)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-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137072526
6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137099655
6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one
CID 137154937
6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;4-methylidene-1-(oxan-4-yl)-6-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157642397
6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157734692
6-(cyclobutylmethyl)-1-(2,2-dimethyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(2,2-dimethyloxan-4-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(2,2-dimethyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(2-methyloxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(2-methyloxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157935030
6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
CID 158959710
6-[(2-ethoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-isocyanophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 158973789
6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 159090062
1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 159499634
6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3-methyl-2-pyridinyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 159706784
1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160149820

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 157261533) is 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(CC)Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1.O=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccc(F)c(Cl)c2)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2cccnc2)nc2c1cnn2C1CCOC1.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AXNFRNSYLZQITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O.C17H15F3N4O3.C17H24N4O.C16H14ClFN4O2.C15H15N5O2.C15H22N4O2/c19-18(20,21)12-5-3-4-11(8-12)9-15-23-16-14(17(26)24-15)10-22-25(16)13-6-1-2-7-13;18-17(19,20)27-13-4-2-1-3-10(13)7-14-22-15-12(16(25)23-14)8-21-24(15)11-5-6-26-9-11;22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12;17-12-5-9(1-2-13(12)18)6-14-20-15-11(16(23)21-14)7-19-22(15)10-3-4-24-8-10;21-15-12-8-17-20(11-3-5-22-9-11)14(12)18-13(19-15)6-10-2-1-4-16-7-10;1-3-10(4-2)7-13-17-14-12(15(20)18-13)8-16-19(14)11-5-6-21-9-11/h3-5,8,10,13H,1-2,6-7,9H2,(H,23,24,26);1-4,8,11H,5-7,9H2,(H,22,23,25);11-13H,1-10H2,(H,19,20,22);1-2,5,7,10H,3-4,6,8H2,(H,20,21,23);1-2,4,7-8,11H,3,5-6,9H2,(H,18,19,21);8,10-11H,3-7,9H2,1-2H3,(H,17,18,20).
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1979.54 g/mol, XLogP of 15.36, 21 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-ethylbutyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 157261533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).