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

C23H21FN4O4S — CID 66612542

IUPACN-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cc1F
InChIInChI=1S/C23H21FN4O4S/c1-2-9-32-21-8-7-19(11-20(21)24)33(30,31)18-5-3-15(4-6-18)12-26-23(29)17-10-16-14-27-28-22(16)25-13-17/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyALSKZPIUQSWNMN-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.65
Rot. Bonds8

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

N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 66612542) has the molecular formula C23H21FN4O4S and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID66612542
Molecular FormulaC23H21FN4O4S
Molecular Weight468.51 g/mol
Exact Mass468.13
IUPAC NameN-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cc1F
InChIInChI=1S/C23H21FN4O4S/c1-2-9-32-21-8-7-19(11-20(21)24)33(30,31)18-5-3-15(4-6-18)12-26-23(29)17-10-16-14-27-28-22(16)25-13-17/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyALSKZPIUQSWNMN-UHFFFAOYSA-N
XLogP3.65
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 66612542) is N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cc1F.
What is the InChIKey of N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ALSKZPIUQSWNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S/c1-2-9-32-21-8-7-19(11-20(21)24)33(30,31)18-5-3-15(4-6-18)12-26-23(29)17-10-16-14-27-28-22(16)25-13-17/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 66612542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).