N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide

C26H19N5O2 — CID 71602203

IUPACN-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
SMILESCc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C26H19N5O2/c1-18-27-22-17-30(21-15-9-4-10-16-21)29-23(22)24(28-18)31(25(32)19-11-5-2-6-12-19)26(33)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyWPEIVTYFISHOQF-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.61
Rot. Bonds4

About N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide

N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide (PubChem CID 71602203) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound NameN-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
PubChem CID71602203
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC NameN-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
SMILESCc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C26H19N5O2/c1-18-27-22-17-30(21-15-9-4-10-16-21)29-23(22)24(28-18)31(25(32)19-11-5-2-6-12-19)26(33)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyWPEIVTYFISHOQF-UHFFFAOYSA-N
XLogP4.61
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The IUPAC name of N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide (CID 71602203) is N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide.
What is the SMILES notation for N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The canonical SMILES for N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide is Cc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
The InChIKey is WPEIVTYFISHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c1-18-27-22-17-30(21-15-9-4-10-16-21)29-23(22)24(28-18)31(25(32)19-11-5-2-6-12-19)26(33)20-13-7-3-8-14-20/h2-17H,1H3.
What are the key properties of N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide?
N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide has a molecular weight of 433.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 71602203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).