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

C26H21N5O3 — CID 127037423

IUPAC4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)nc3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
InChIKeyGSEGJZFOTNWVGT-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.75
Rot. Bonds6

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

4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide (PubChem CID 127037423) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
PubChem CID127037423
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)nc3cn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
InChIKeyGSEGJZFOTNWVGT-UHFFFAOYSA-N
XLogP4.75
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide (CID 127037423) is 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide is COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)nc3cn(-c4ccccc4)nc23)cc1.
What is the InChIKey of 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is GSEGJZFOTNWVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32).
What are the key properties of 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide?
4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 451.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 127037423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).