N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C20H20N6O3S — CID 66609607

IUPACN-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-2-7-26-13-18(12-24-26)30(28,29)17-5-3-14(4-6-17)9-22-20(27)16-8-15-11-23-25-19(15)21-10-16/h3-6,8,10-13H,2,7,9H2,1H3,(H,22,27)(H,21,23,25)
InChIKeyJOEHAYZBJLFFPV-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.33
Rot. Bonds7

About N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 66609607) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID66609607
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC NameN-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-2-7-26-13-18(12-24-26)30(28,29)17-5-3-14(4-6-17)9-22-20(27)16-8-15-11-23-25-19(15)21-10-16/h3-6,8,10-13H,2,7,9H2,1H3,(H,22,27)(H,21,23,25)
InChIKeyJOEHAYZBJLFFPV-UHFFFAOYSA-N
XLogP2.33
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]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-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 66609607) is N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cn1.
What is the InChIKey of N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JOEHAYZBJLFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-2-7-26-13-18(12-24-26)30(28,29)17-5-3-14(4-6-17)9-22-20(27)16-8-15-11-23-25-19(15)21-10-16/h3-6,8,10-13H,2,7,9H2,1H3,(H,22,27)(H,21,23,25).
What are the key properties of N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 66609607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).