2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H15N7OS — CID 146268727

IUPAC2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4snnc4C)nc3n2)c1
InChIInChI=1S/C16H15N7OS/c1-9-13(25-22-20-9)16-18-14(17)12-8-23(21-15(12)19-16)7-10-4-3-5-11(6-10)24-2/h3-6,8H,7H2,1-2H3,(H2,17,18,19,21)
InChIKeyYBBZTBYPGBGHOQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.29
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268727) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268727
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4snnc4C)nc3n2)c1
InChIInChI=1S/C16H15N7OS/c1-9-13(25-22-20-9)16-18-14(17)12-8-23(21-15(12)19-16)7-10-4-3-5-11(6-10)24-2/h3-6,8H,7H2,1-2H3,(H2,17,18,19,21)
InChIKeyYBBZTBYPGBGHOQ-UHFFFAOYSA-N
XLogP2.29
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 54764682
5-butyl-8-(3-methoxyphenyl)-1H-[1,2,4]triazolo[5,1-f]purine
CID 135512752
3-(4-methoxybenzyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 753568
1-isopropyl-3-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905169
3-(4-fluoro-3-methoxyphenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905175
1-[(4-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68212353
[3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(3-methoxy-benzyl)-propyl-amine
CID 11351594
N-(2-ethyl-4-methoxyphenyl)-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 11588927
4-(4-Methoxyphenyl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 46205483
4-(4-Methoxyphenyl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 46205809
3-[(4-Methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 70677533
N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70697381

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268727) is 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Cn2cc3c(N)nc(-c4snnc4C)nc3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YBBZTBYPGBGHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-9-13(25-22-20-9)16-18-14(17)12-8-23(21-15(12)19-16)7-10-4-3-5-11(6-10)24-2/h3-6,8H,7H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 353.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-(4-methylthiadiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).