N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

C18H19FN4O4S — CID 58227803

IUPACN-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Cc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C18H19FN4O4S/c1-3-7-28(25,26)23-14-6-4-5-12(16(14)19)15(24)9-11-8-13-17(20-10-11)21-22-18(13)27-2/h4-6,8,10,23H,3,7,9H2,1-2H3,(H,20,21,22)
InChIKeyAAYJJKLSOZOKLI-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.68
Rot. Bonds8

About N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (PubChem CID 58227803) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
PubChem CID58227803
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC NameN-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Cc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C18H19FN4O4S/c1-3-7-28(25,26)23-14-6-4-5-12(16(14)19)15(24)9-11-8-13-17(20-10-11)21-22-18(13)27-2/h4-6,8,10,23H,3,7,9H2,1-2H3,(H,20,21,22)
InChIKeyAAYJJKLSOZOKLI-UHFFFAOYSA-N
XLogP2.68
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (CID 58227803) is N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)Cc2cnc3[nH]nc(OC)c3c2)c1F.
What is the InChIKey of N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The InChIKey is AAYJJKLSOZOKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c1-3-7-28(25,26)23-14-6-4-5-12(16(14)19)15(24)9-11-8-13-17(20-10-11)21-22-18(13)27-2/h4-6,8,10,23H,3,7,9H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 406.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58227803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).