3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H15N5O — CID 135439535

IUPAC3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(Nc1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C18H15N5O/c24-18-15-16(21-14-9-5-2-6-10-14)22-23(17(15)19-12-20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,21,22)(H,19,20,24)
InChIKeyRKTMNPHNDVWWLA-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.91
Rot. Bonds4

About 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135439535) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135439535
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(Nc1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C18H15N5O/c24-18-15-16(21-14-9-5-2-6-10-14)22-23(17(15)19-12-20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,21,22)(H,19,20,24)
InChIKeyRKTMNPHNDVWWLA-UHFFFAOYSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135439535) is 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(Nc1ccccc1)nn2Cc1ccccc1.
What is the InChIKey of 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RKTMNPHNDVWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-18-15-16(21-14-9-5-2-6-10-14)22-23(17(15)19-12-20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,21,22)(H,19,20,24).
What are the key properties of 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 317.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135439535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).