2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine

C19H20N8S — CID 42668396

IUPAC2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCN(c4ccccn4)CC3)nc(-c3cccs3)c2c1N
InChIInChI=1S/C19H20N8S/c1-25-17(20)15-16(13-5-4-12-28-13)22-19(23-18(15)24-25)27-10-8-26(9-11-27)14-6-2-3-7-21-14/h2-7,12H,8-11,20H2,1H3
InChIKeyUMUMQWQMFBJBJO-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine

2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668396) has the molecular formula C19H20N8S and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668396
Molecular FormulaC19H20N8S
Molecular Weight392.49 g/mol
Exact Mass392.15
IUPAC Name2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCN(c4ccccn4)CC3)nc(-c3cccs3)c2c1N
InChIInChI=1S/C19H20N8S/c1-25-17(20)15-16(13-5-4-12-28-13)22-19(23-18(15)24-25)27-10-8-26(9-11-27)14-6-2-3-7-21-14/h2-7,12H,8-11,20H2,1H3
InChIKeyUMUMQWQMFBJBJO-UHFFFAOYSA-N
XLogP2.40
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668399
2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42808160
2-methyl-4-thiophen-2-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668393
4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667796
4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669297
6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668390
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
2-benzyl-4-(3-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668799
2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117079664
4-(4-fluorophenyl)-2-methyl-6-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667995
2-[4-(3-amino-2-phenyl-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 42668344
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42668396) is 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine is Cn1nc2nc(N3CCN(c4ccccn4)CC3)nc(-c3cccs3)c2c1N.
What is the InChIKey of 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is UMUMQWQMFBJBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8S/c1-25-17(20)15-16(13-5-4-12-28-13)22-19(23-18(15)24-25)27-10-8-26(9-11-27)14-6-2-3-7-21-14/h2-7,12H,8-11,20H2,1H3.
What are the key properties of 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 392.49 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).