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

C16H13N5OS — CID 127036450

IUPAC2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(-n2cc3nc(-c4cccs4)nc(N)c3n2)cc1
InChIInChI=1S/C16H13N5OS/c1-22-11-6-4-10(5-7-11)21-9-12-14(20-21)15(17)19-16(18-12)13-3-2-8-23-13/h2-9H,1H3,(H2,17,18,19)
InChIKeyOKJDJHRRXCHARS-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.13
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127036450) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127036450
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(-n2cc3nc(-c4cccs4)nc(N)c3n2)cc1
InChIInChI=1S/C16H13N5OS/c1-22-11-6-4-10(5-7-11)21-9-12-14(20-21)15(17)19-16(18-12)13-3-2-8-23-13/h2-9H,1H3,(H2,17,18,19)
InChIKeyOKJDJHRRXCHARS-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

N-(4-methoxyphenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-amine
CID 658874
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 667521
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 16666960
10-(4-methoxyphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 60165392
5-chloro-N-(4-methoxyphenyl)-N,1-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
CID 139467480
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)benzimidazol-5-amine
CID 660506
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
1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782334
2-(4-Methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 71601783

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (CID 127036450) is 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is COc1ccc(-n2cc3nc(-c4cccs4)nc(N)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is OKJDJHRRXCHARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-22-11-6-4-10(5-7-11)21-9-12-14(20-21)15(17)19-16(18-12)13-3-2-8-23-13/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
2-(4-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-(4-methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127036450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).