4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one

C18H16N4O2 — CID 139221767

IUPAC4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccc(O)cc1)NC(=O)N2
InChIInChI=1S/C18H16N4O2/c1-11-15-16(12-7-9-14(23)10-8-12)19-18(24)20-17(15)22(21-11)13-5-3-2-4-6-13/h2-10,16,23H,1H3,(H2,19,20,24)
InChIKeyORGOCKOTDKKPPO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.11
Rot. Bonds2

About 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one

4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one (PubChem CID 139221767) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one
PubChem CID139221767
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccc(O)cc1)NC(=O)N2
InChIInChI=1S/C18H16N4O2/c1-11-15-16(12-7-9-14(23)10-8-12)19-18(24)20-17(15)22(21-11)13-5-3-2-4-6-13/h2-10,16,23H,1H3,(H2,19,20,24)
InChIKeyORGOCKOTDKKPPO-UHFFFAOYSA-N
XLogP3.11
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one (CID 139221767) is 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one is Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)cc1)NC(=O)N2.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one?
The InChIKey is ORGOCKOTDKKPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-15-16(12-7-9-14(23)10-8-12)19-18(24)20-17(15)22(21-11)13-5-3-2-4-6-13/h2-10,16,23H,1H3,(H2,19,20,24).
What are the key properties of 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one?
4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one has a molecular weight of 320.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-d]pyrimidin-6-one is sourced from PubChem (CID 139221767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).