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

C26H21N5O2 — CID 71602202

IUPACN-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide
SMILESCOc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)31-17-22-24(30-31)26(28-23(32)16-18-8-4-2-5-9-18)29-25(27-22)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,32)
InChIKeyYPPVOAWJYBDVEG-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.67
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide (PubChem CID 71602202) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide
PubChem CID71602202
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide
SMILESCOc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)31-17-22-24(30-31)26(28-23(32)16-18-8-4-2-5-9-18)29-25(27-22)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,32)
InChIKeyYPPVOAWJYBDVEG-UHFFFAOYSA-N
XLogP4.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide (CID 71602202) is N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide is COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)Cc4ccccc4)c3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
The InChIKey is YPPVOAWJYBDVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)31-17-22-24(30-31)26(28-23(32)16-18-8-4-2-5-9-18)29-25(27-22)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,32).
What are the key properties of N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide has a molecular weight of 435.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide is sourced from PubChem (CID 71602202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).