2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide

C20H27N7O2S — CID 155545701

IUPAC2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1CCC(Nc2ncc3c(-c4ccccn4)[nH]nc3n2)CC1
InChIInChI=1S/C20H27N7O2S/c1-13(2)12-30(28,29)27-15-8-6-14(7-9-15)23-20-22-11-16-18(25-26-19(16)24-20)17-5-3-4-10-21-17/h3-5,10-11,13-15,27H,6-9,12H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyADZMXFUPLXJFOI-UHFFFAOYSA-N
MW429.55 g/mol
LogP2.71
Rot. Bonds7

About 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide

2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide (PubChem CID 155545701) has the molecular formula C20H27N7O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide
PubChem CID155545701
Molecular FormulaC20H27N7O2S
Molecular Weight429.55 g/mol
Exact Mass429.19
IUPAC Name2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1CCC(Nc2ncc3c(-c4ccccn4)[nH]nc3n2)CC1
InChIInChI=1S/C20H27N7O2S/c1-13(2)12-30(28,29)27-15-8-6-14(7-9-15)23-20-22-11-16-18(25-26-19(16)24-20)17-5-3-4-10-21-17/h3-5,10-11,13-15,27H,6-9,12H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyADZMXFUPLXJFOI-UHFFFAOYSA-N
XLogP2.71
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide 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 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide (CID 155545701) is 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide is CC(C)CS(=O)(=O)NC1CCC(Nc2ncc3c(-c4ccccn4)[nH]nc3n2)CC1.
What is the InChIKey of 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide?
The InChIKey is ADZMXFUPLXJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2S/c1-13(2)12-30(28,29)27-15-8-6-14(7-9-15)23-20-22-11-16-18(25-26-19(16)24-20)17-5-3-4-10-21-17/h3-5,10-11,13-15,27H,6-9,12H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide?
2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide has a molecular weight of 429.55 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 155545701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).