2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one

C15H18N4O2 — CID 136621306

IUPAC2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one
SMILESCOc1ccccc1-n1nc2c(c1C(C)C)CNC(=O)N2
InChIInChI=1S/C15H18N4O2/c1-9(2)13-10-8-16-15(20)17-14(10)18-19(13)11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyWVCZISNRFSXJQL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one

2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 136621306) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one
PubChem CID136621306
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one
SMILESCOc1ccccc1-n1nc2c(c1C(C)C)CNC(=O)N2
InChIInChI=1S/C15H18N4O2/c1-9(2)13-10-8-16-15(20)17-14(10)18-19(13)11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyWVCZISNRFSXJQL-UHFFFAOYSA-N
XLogP2.64
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one (CID 136621306) is 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one is COc1ccccc1-n1nc2c(c1C(C)C)CNC(=O)N2.
What is the InChIKey of 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is WVCZISNRFSXJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(2)13-10-8-16-15(20)17-14(10)18-19(13)11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one?
2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 286.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 136621306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).