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

C21H19N5O2 — CID 71602067

IUPACN-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide
SMILESCOc1ccc(-n2cc3nc(C)nc(NC(=O)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-22-18-13-26(16-8-10-17(28-2)11-9-16)25-20(18)21(23-14)24-19(27)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,23,24,27)
InChIKeyMOYQYYYVYOOERO-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.31
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide (PubChem CID 71602067) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide
PubChem CID71602067
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide
SMILESCOc1ccc(-n2cc3nc(C)nc(NC(=O)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-22-18-13-26(16-8-10-17(28-2)11-9-16)25-20(18)21(23-14)24-19(27)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,23,24,27)
InChIKeyMOYQYYYVYOOERO-UHFFFAOYSA-N
XLogP3.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.31
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-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide (CID 71602067) is N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide is COc1ccc(-n2cc3nc(C)nc(NC(=O)Cc4ccccc4)c3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
The InChIKey is MOYQYYYVYOOERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-22-18-13-26(16-8-10-17(28-2)11-9-16)25-20(18)21(23-14)24-19(27)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,23,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide?
N-[2-(4-methoxyphenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide has a molecular weight of 373.42 g/mol, XLogP of 3.31, 5 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-methylpyrazolo[4,3-d]pyrimidin-7-yl]-2-phenylacetamide is sourced from PubChem (CID 71602067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).