2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

C16H13N5OS — CID 127045824

IUPAC2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1-n1cc2nc(-c3cccs3)nc(N)c2n1
InChIInChI=1S/C16H13N5OS/c1-22-12-6-3-2-5-11(12)21-9-10-14(20-21)15(17)19-16(18-10)13-7-4-8-23-13/h2-9H,1H3,(H2,17,18,19)
InChIKeyRWAQYEUKPWAERB-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.13
Rot. Bonds3

About 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127045824) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127045824
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1-n1cc2nc(-c3cccs3)nc(N)c2n1
InChIInChI=1S/C16H13N5OS/c1-22-12-6-3-2-5-11(12)21-9-10-14(20-21)15(17)19-16(18-10)13-7-4-8-23-13/h2-9H,1H3,(H2,17,18,19)
InChIKeyRWAQYEUKPWAERB-UHFFFAOYSA-N
XLogP3.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406916
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-5-(pyrazol-1-yl)imidazo[1,2-a]pyridine
CID 11689612
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 949169
CID 2877735
CID 2877735
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
1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866553
N-(2-phenoxyethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 49778155
5-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine
CID 118711415
5-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 118711416
2-(4-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127036450
2-(7-Amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
CID 127046438
2-(2-Methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127047737

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (CID 127045824) is 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is COc1ccccc1-n1cc2nc(-c3cccs3)nc(N)c2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is RWAQYEUKPWAERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-22-12-6-3-2-5-11(12)21-9-10-14(20-21)15(17)19-16(18-10)13-7-4-8-23-13/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 323.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127045824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).