6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H22N6S2 — CID 70762278

IUPAC6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSCc1nc(CNc2nc(C3CCCC3)nc3c2cnn3C)cs1
InChIInChI=1S/C17H22N6S2/c1-23-17-13(8-19-23)16(21-15(22-17)11-5-3-4-6-11)18-7-12-9-25-14(20-12)10-24-2/h8-9,11H,3-7,10H2,1-2H3,(H,18,21,22)
InChIKeyDAVMCXLUYMLIAK-UHFFFAOYSA-N
MW374.54 g/mol
LogP3.95
Rot. Bonds6

About 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70762278) has the molecular formula C17H22N6S2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70762278
Molecular FormulaC17H22N6S2
Molecular Weight374.54 g/mol
Exact Mass374.13
IUPAC Name6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSCc1nc(CNc2nc(C3CCCC3)nc3c2cnn3C)cs1
InChIInChI=1S/C17H22N6S2/c1-23-17-13(8-19-23)16(21-15(22-17)11-5-3-4-6-11)18-7-12-9-25-14(20-12)10-24-2/h8-9,11H,3-7,10H2,1-2H3,(H,18,21,22)
InChIKeyDAVMCXLUYMLIAK-UHFFFAOYSA-N
XLogP3.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70762278) is 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CSCc1nc(CNc2nc(C3CCCC3)nc3c2cnn3C)cs1.
What is the InChIKey of 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DAVMCXLUYMLIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S2/c1-23-17-13(8-19-23)16(21-15(22-17)11-5-3-4-6-11)18-7-12-9-25-14(20-12)10-24-2/h8-9,11H,3-7,10H2,1-2H3,(H,18,21,22).
What are the key properties of 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 374.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70762278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).