4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine

C19H17N5OS — CID 42807540

IUPAC4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1cccc(-c2nc(SC)nc3nn(-c4ccccc4)c(N)c23)c1
InChIInChI=1S/C19H17N5OS/c1-25-14-10-6-7-12(11-14)16-15-17(20)24(13-8-4-3-5-9-13)23-18(15)22-19(21-16)26-2/h3-11H,20H2,1-2H3
InChIKeyGTTQPMRJCYZINM-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.80
Rot. Bonds4

About 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine

4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42807540) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42807540
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1cccc(-c2nc(SC)nc3nn(-c4ccccc4)c(N)c23)c1
InChIInChI=1S/C19H17N5OS/c1-25-14-10-6-7-12(11-14)16-15-17(20)24(13-8-4-3-5-9-13)23-18(15)22-19(21-16)26-2/h3-11H,20H2,1-2H3
InChIKeyGTTQPMRJCYZINM-UHFFFAOYSA-N
XLogP3.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807541
4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668955
1-[4-[3-amino-2-(3-fluorophenyl)-4-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
CID 42668993
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668968
6-N-benzyl-2-(4-methoxyphenyl)-6-N-methyl-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667675
4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297649
4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668828
4-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668645
4-chloro-3-fluoro-6-(3-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 59807407
4-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668157
4-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668636

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42807540) is 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine is COc1cccc(-c2nc(SC)nc3nn(-c4ccccc4)c(N)c23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is GTTQPMRJCYZINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-25-14-10-6-7-12(11-14)16-15-17(20)24(13-8-4-3-5-9-13)23-18(15)22-19(21-16)26-2/h3-11H,20H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine?
4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 363.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42807540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).