7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

C16H13N5OS — CID 19608361

IUPAC7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnc(COc2cc(-c3ccsc3)nc3ccnn23)cn1
InChIInChI=1S/C16H13N5OS/c1-11-7-18-13(8-17-11)9-22-16-6-14(12-3-5-23-10-12)20-15-2-4-19-21(15)16/h2-8,10H,9H2,1H3
InChIKeyYPSCKNUWKWHFAE-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.14
Rot. Bonds4

About 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 19608361) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID19608361
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnc(COc2cc(-c3ccsc3)nc3ccnn23)cn1
InChIInChI=1S/C16H13N5OS/c1-11-7-18-13(8-17-11)9-22-16-6-14(12-3-5-23-10-12)20-15-2-4-19-21(15)16/h2-8,10H,9H2,1H3
InChIKeyYPSCKNUWKWHFAE-UHFFFAOYSA-N
XLogP3.14
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 16006944
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406916
2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenyl-7-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406866
US9096589, 8-Methoxy-5-methyl-2-{2-[1-(2-morpholin-4-yl-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53234600
N-(2-phenoxyethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 49778155
7-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine
CID 70677258
2-(2-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127045824
4-[(6-Thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 25067202
US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250500
US9096589, 8-Methoxy-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53251928
US9096589, 8-Methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53251929
US9096589, 8-Methoxy-2-[2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252088

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (CID 19608361) is 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is Cc1cnc(COc2cc(-c3ccsc3)nc3ccnn23)cn1.
What is the InChIKey of 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YPSCKNUWKWHFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-11-7-18-13(8-17-11)9-22-16-6-14(12-3-5-23-10-12)20-15-2-4-19-21(15)16/h2-8,10H,9H2,1H3.
What are the key properties of 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 323.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methylpyrazin-2-yl)methoxy]-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 19608361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).