6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H23N5O2 — CID 135948887

IUPAC6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cc(N)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1
InChIInChI=1S/C19H23N5O2/c1-24-18-15(16(23-24)11-6-4-3-5-7-11)19(25)22-17(21-18)13-9-8-12(20)10-14(13)26-2/h8-11H,3-7,20H2,1-2H3,(H,21,22,25)
InChIKeyCMHXIYLFFKZFRD-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.96
Rot. Bonds3

About 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135948887) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135948887
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cc(N)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1
InChIInChI=1S/C19H23N5O2/c1-24-18-15(16(23-24)11-6-4-3-5-7-11)19(25)22-17(21-18)13-9-8-12(20)10-14(13)26-2/h8-11H,3-7,20H2,1-2H3,(H,21,22,25)
InChIKeyCMHXIYLFFKZFRD-UHFFFAOYSA-N
XLogP2.96
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-thiourea
CID 135513970
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983721
2-[4-(Cyclopropylmethoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983732
9-[3-(dimethylamino)propoxy]-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971394
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide
CID 135406502
6-(5-Dimethylamino-2-propoxy-phenyl)-1,3-dimethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419269
3-Methyl-6-(2-propoxy-phenyl)-1-(2,2,2-trifluoro-ethyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419318

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135948887) is 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cc(N)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1.
What is the InChIKey of 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CMHXIYLFFKZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-24-18-15(16(23-24)11-6-4-3-5-7-11)19(25)22-17(21-18)13-9-8-12(20)10-14(13)26-2/h8-11H,3-7,20H2,1-2H3,(H,21,22,25).
What are the key properties of 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 353.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135948887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).