6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

C18H14FN5O3S — CID 164548773

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCS(=O)(=O)c1ccccc1-n1[nH]c(=O)c2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C18H14FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)24-14-8-17(21-10-12(14)18(25)23-24)22-16-7-6-11(19)9-20-16/h2-10H,1H3,(H,23,25)(H,20,21,22)
InChIKeyQZOKBZLQKOVGHK-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.39
Rot. Bonds4

About 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 164548773) has the molecular formula C18H14FN5O3S and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID164548773
Molecular FormulaC18H14FN5O3S
Molecular Weight399.41 g/mol
Exact Mass399.08
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCS(=O)(=O)c1ccccc1-n1[nH]c(=O)c2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C18H14FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)24-14-8-17(21-10-12(14)18(25)23-24)22-16-7-6-11(19)9-20-16/h2-10H,1H3,(H,23,25)(H,20,21,22)
InChIKeyQZOKBZLQKOVGHK-UHFFFAOYSA-N
XLogP2.39
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinecarboxamide
CID 25226483
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-2-methyl-4-(2-methylsulfonylanilino)-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 146047353
2-{[6-(acetylamino)-3-pyridinyl]sulfanyl}-N-(4-fluorophenyl)nicotinamide
CID 3713328
N-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201718
N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201851
4-(2-ethylsulfonylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 155523996
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
2-methyl-6-[(5-methyl-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 146047357

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (CID 164548773) is 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is CS(=O)(=O)c1ccccc1-n1[nH]c(=O)c2cnc(Nc3ccc(F)cn3)cc21.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is QZOKBZLQKOVGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)24-14-8-17(21-10-12(14)18(25)23-24)22-16-7-6-11(19)9-20-16/h2-10H,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 399.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-1-(2-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 164548773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).