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

C22H25N7OS — CID 42808160

IUPAC2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCN(CCOc4ccccc4)CC3)nc(-c3cccs3)c2c1N
InChIInChI=1S/C22H25N7OS/c1-27-20(23)18-19(17-8-5-15-31-17)24-22(25-21(18)26-27)29-11-9-28(10-12-29)13-14-30-16-6-3-2-4-7-16/h2-8,15H,9-14,23H2,1H3
InChIKeyUOOQWLHRPUTZBI-UHFFFAOYSA-N
MW435.56 g/mol
LogP2.88
Rot. Bonds6

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

2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42808160) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42808160
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC Name2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCN(CCOc4ccccc4)CC3)nc(-c3cccs3)c2c1N
InChIInChI=1S/C22H25N7OS/c1-27-20(23)18-19(17-8-5-15-31-17)24-22(25-21(18)26-27)29-11-9-28(10-12-29)13-14-30-16-6-3-2-4-7-16/h2-8,15H,9-14,23H2,1H3
InChIKeyUOOQWLHRPUTZBI-UHFFFAOYSA-N
XLogP2.88
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 52.88
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-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669362
2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668396
2-methyl-4-thiophen-2-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668393
4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42808342
2-methyl-4-(3-phenoxyphenyl)-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669543
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42807950
4-(4-chlorophenyl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668123
4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
CID 12962125
6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668390
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
2-benzyl-4-(2-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42808160) is 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine is Cn1nc2nc(N3CCN(CCOc4ccccc4)CC3)nc(-c3cccs3)c2c1N.
What is the InChIKey of 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is UOOQWLHRPUTZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-27-20(23)18-19(17-8-5-15-31-17)24-22(25-21(18)26-27)29-11-9-28(10-12-29)13-14-30-16-6-3-2-4-7-16/h2-8,15H,9-14,23H2,1H3.
What are the key properties of 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 435.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42808160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).