6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C86H104Cl2N20O11 — CID 159988168

IUPAC6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CCc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.COc1ccc(Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c(Cl)c1.Cc1ccccc1Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.O=c1[nH]c(CC2CCCCCC2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2Cl)nc2c1cnn2C1CCOCC1
InChIInChI=1S/C18H19ClN4O3.C18H20N4O2.C18H26N4O2.C17H17ClN4O2.C15H22N4O2/c1-25-13-3-2-11(15(19)9-13)8-16-21-17-14(18(24)22-16)10-20-23(17)12-4-6-26-7-5-12;1-12-4-2-3-5-13(12)10-16-20-17-15(18(23)21-16)11-19-22(17)14-6-8-24-9-7-14;23-18-15-12-19-22(14-7-9-24-10-8-14)17(15)20-16(21-18)11-13-5-3-1-2-4-6-13;18-14-4-2-1-3-11(14)9-15-20-16-13(17(23)21-15)10-19-22(16)12-5-7-24-8-6-12;1-10(2)3-4-13-17-14-12(15(20)18-13)9-16-19(14)11-5-7-21-8-6-11/h2-3,9-10,12H,4-8H2,1H3,(H,21,22,24);2-5,11,14H,6-10H2,1H3,(H,20,21,23);12-14H,1-11H2,(H,20,21,23);1-4,10,12H,5-9H2,(H,20,21,23);9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyOGPIITLSZQTGDR-UHFFFAOYSA-N
MW1664.81 g/mol
LogP12.85
Rot. Bonds17

About 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159988168) has the molecular formula C86H104Cl2N20O11 and a molecular weight of 1664.81 g/mol. Its IUPAC name is 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID159988168
Molecular FormulaC86H104Cl2N20O11
Molecular Weight1664.81 g/mol
Exact Mass1662.76
IUPAC Name6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CCc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.COc1ccc(Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c(Cl)c1.Cc1ccccc1Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.O=c1[nH]c(CC2CCCCCC2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2Cl)nc2c1cnn2C1CCOCC1
InChIInChI=1S/C18H19ClN4O3.C18H20N4O2.C18H26N4O2.C17H17ClN4O2.C15H22N4O2/c1-25-13-3-2-11(15(19)9-13)8-16-21-17-14(18(24)22-16)10-20-23(17)12-4-6-26-7-5-12;1-12-4-2-3-5-13(12)10-16-20-17-15(18(23)21-16)11-19-22(17)14-6-8-24-9-7-14;23-18-15-12-19-22(14-7-9-24-10-8-14)17(15)20-16(21-18)11-13-5-3-1-2-4-6-13;18-14-4-2-1-3-11(14)9-15-20-16-13(17(23)21-15)10-19-22(16)12-5-7-24-8-6-12;1-10(2)3-4-13-17-14-12(15(20)18-13)9-16-19(14)11-5-7-21-8-6-11/h2-3,9-10,12H,4-8H2,1H3,(H,21,22,24);2-5,11,14H,6-10H2,1H3,(H,20,21,23);12-14H,1-11H2,(H,20,21,23);1-4,10,12H,5-9H2,(H,20,21,23);9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyOGPIITLSZQTGDR-UHFFFAOYSA-N
XLogP12.85
TPSA373.23 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.81
LogP ≤ 512.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157288200
tert-butyl 3-[6-(cyclobutylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;6-[(2-chloro-3,6-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(3-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(3,5-dimethylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methoxy-2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]benzonitrile
CID 157799439
6-[(2-bromophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-cyclopentylethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-ethyl-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 159038859

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 159988168) is 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)CCc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.COc1ccc(Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c(Cl)c1.Cc1ccccc1Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.O=c1[nH]c(CC2CCCCCC2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2Cl)nc2c1cnn2C1CCOCC1.
What is the InChIKey of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OGPIITLSZQTGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3.C18H20N4O2.C18H26N4O2.C17H17ClN4O2.C15H22N4O2/c1-25-13-3-2-11(15(19)9-13)8-16-21-17-14(18(24)22-16)10-20-23(17)12-4-6-26-7-5-12;1-12-4-2-3-5-13(12)10-16-20-17-15(18(23)21-16)11-19-22(17)14-6-8-24-9-7-14;23-18-15-12-19-22(14-7-9-24-10-8-14)17(15)20-16(21-18)11-13-5-3-1-2-4-6-13;18-14-4-2-1-3-11(14)9-15-20-16-13(17(23)21-15)10-19-22(16)12-5-7-24-8-6-12;1-10(2)3-4-13-17-14-12(15(20)18-13)9-16-19(14)11-5-7-21-8-6-11/h2-3,9-10,12H,4-8H2,1H3,(H,21,22,24);2-5,11,14H,6-10H2,1H3,(H,20,21,23);12-14H,1-11H2,(H,20,21,23);1-4,10,12H,5-9H2,(H,20,21,23);9-11H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1664.81 g/mol, XLogP of 12.85, 17 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cycloheptylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(3-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159988168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).