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

C20H17N5O2 — CID 46237929

IUPAC4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1
InChIInChI=1S/C20H17N5O2/c1-25-12-16-18(23-20(26)14-8-10-15(27-2)11-9-14)21-17(22-19(16)24-25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23,24,26)
InChIKeyYEHUDYLWUFJTMH-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.29
Rot. Bonds4

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

4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide (PubChem CID 46237929) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
PubChem CID46237929
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1
InChIInChI=1S/C20H17N5O2/c1-25-12-16-18(23-20(26)14-8-10-15(27-2)11-9-14)21-17(22-19(16)24-25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23,24,26)
InChIKeyYEHUDYLWUFJTMH-UHFFFAOYSA-N
XLogP3.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide (CID 46237929) is 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1.
What is the InChIKey of 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The InChIKey is YEHUDYLWUFJTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25-12-16-18(23-20(26)14-8-10-15(27-2)11-9-14)21-17(22-19(16)24-25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23,24,26).
What are the key properties of 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide is sourced from PubChem (CID 46237929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).