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

C21H30N8S — CID 42668399

IUPAC2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCN(CCN4CCCCC4)CC3)nc(-c3cccs3)c2c1N
InChIInChI=1S/C21H30N8S/c1-26-19(22)17-18(16-6-5-15-30-16)23-21(24-20(17)25-26)29-13-11-28(12-14-29)10-9-27-7-3-2-4-8-27/h5-6,15H,2-4,7-14,22H2,1H3
InChIKeyPTFJPSAYLHAMQH-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.28
Rot. Bonds5

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

2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668399) has the molecular formula C21H30N8S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668399
Molecular FormulaC21H30N8S
Molecular Weight426.59 g/mol
Exact Mass426.23
IUPAC Name2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCN(CCN4CCCCC4)CC3)nc(-c3cccs3)c2c1N
InChIInChI=1S/C21H30N8S/c1-26-19(22)17-18(16-6-5-15-30-16)23-21(24-20(17)25-26)29-13-11-28(12-14-29)10-9-27-7-3-2-4-8-27/h5-6,15H,2-4,7-14,22H2,1H3
InChIKeyPTFJPSAYLHAMQH-UHFFFAOYSA-N
XLogP2.28
TPSA79.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42808160
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
2-methyl-4-(3-phenoxyphenyl)-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669543
4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667796
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
4-(3-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42808342
4-(2,3-difluorophenyl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42669306
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
2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669362
4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42668399) is 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine is Cn1nc2nc(N3CCN(CCN4CCCCC4)CC3)nc(-c3cccs3)c2c1N.
What is the InChIKey of 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is PTFJPSAYLHAMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8S/c1-26-19(22)17-18(16-6-5-15-30-16)23-21(24-20(17)25-26)29-13-11-28(12-14-29)10-9-27-7-3-2-4-8-27/h5-6,15H,2-4,7-14,22H2,1H3.
What are the key properties of 2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine?
2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 426.59 g/mol, XLogP of 2.28, 5 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-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).