N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C19H21N5O3S — CID 66608900

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C19H21N5O3S/c25-19(16-10-15-13-22-23-18(15)20-12-16)21-11-14-4-6-17(7-5-14)28(26,27)24-8-2-1-3-9-24/h4-7,10,12-13H,1-3,8-9,11H2,(H,21,25)(H,20,22,23)
InChIKeyVMSFYJMVYXMVAJ-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.06
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 66608900) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID66608900
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C19H21N5O3S/c25-19(16-10-15-13-22-23-18(15)20-12-16)21-11-14-4-6-17(7-5-14)28(26,27)24-8-2-1-3-9-24/h4-7,10,12-13H,1-3,8-9,11H2,(H,21,25)(H,20,22,23)
InChIKeyVMSFYJMVYXMVAJ-UHFFFAOYSA-N
XLogP2.06
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide 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 N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 66608900) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is VMSFYJMVYXMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c25-19(16-10-15-13-22-23-18(15)20-12-16)21-11-14-4-6-17(7-5-14)28(26,27)24-8-2-1-3-9-24/h4-7,10,12-13H,1-3,8-9,11H2,(H,21,25)(H,20,22,23).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 66608900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).