2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

C23H28N4O4S — CID 127048495

IUPAC2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1
InChIInChI=1S/C23H28N4O4S/c1-16(2)15-31-23(28)26-10-8-19(9-11-26)27-22-14-24-21(12-18(22)13-25-27)17-4-6-20(7-5-17)32(3,29)30/h4-7,12-14,16,19H,8-11,15H2,1-3H3
InChIKeyYAGXMGHALYWXPX-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.93
Rot. Bonds5

About 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (PubChem CID 127048495) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
PubChem CID127048495
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1
InChIInChI=1S/C23H28N4O4S/c1-16(2)15-31-23(28)26-10-8-19(9-11-26)27-22-14-24-21(12-18(22)13-25-27)17-4-6-20(7-5-17)32(3,29)30/h4-7,12-14,16,19H,8-11,15H2,1-3H3
InChIKeyYAGXMGHALYWXPX-UHFFFAOYSA-N
XLogP3.93
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate 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-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (CID 127048495) is 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1.
What is the InChIKey of 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is YAGXMGHALYWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-16(2)15-31-23(28)26-10-8-19(9-11-26)27-22-14-24-21(12-18(22)13-25-27)17-4-6-20(7-5-17)32(3,29)30/h4-7,12-14,16,19H,8-11,15H2,1-3H3.
What are the key properties of 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 456.57 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 127048495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).