N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide

C19H15N5O — CID 46237928

IUPACN-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
SMILESCn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1
InChIInChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
InChIKeyQFBYVTZHJZITCY-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.28
Rot. Bonds3

About N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide

N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide (PubChem CID 46237928) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
PubChem CID46237928
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
SMILESCn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1
InChIInChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
InChIKeyQFBYVTZHJZITCY-UHFFFAOYSA-N
XLogP3.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The IUPAC name of N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide (CID 46237928) is N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide is Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1.
What is the InChIKey of N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The InChIKey is QFBYVTZHJZITCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25).
What are the key properties of N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide is sourced from PubChem (CID 46237928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).