1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one

C14H14N4O3S — CID 136950392

IUPAC1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCn1nc(Nc2ccc(S(C)(=O)=O)cc2)c2c(=O)[nH]ccc21
InChIInChI=1S/C14H14N4O3S/c1-18-11-7-8-15-14(19)12(11)13(17-18)16-9-3-5-10(6-4-9)22(2,20)21/h3-8H,1-2H3,(H,15,19)(H,16,17)
InChIKeyRWYNQKHEKPVBJB-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one

1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 136950392) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID136950392
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCn1nc(Nc2ccc(S(C)(=O)=O)cc2)c2c(=O)[nH]ccc21
InChIInChI=1S/C14H14N4O3S/c1-18-11-7-8-15-14(19)12(11)13(17-18)16-9-3-5-10(6-4-9)22(2,20)21/h3-8H,1-2H3,(H,15,19)(H,16,17)
InChIKeyRWYNQKHEKPVBJB-UHFFFAOYSA-N
XLogP1.41
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylsulfonylanilino)-1-spiro[2.5]octan-6-yl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137281944
(2S)-2-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137217541
2-[1-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclopentyl]acetonitrile
CID 136950607
2-[(3R)-3-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]oxan-3-yl]acetonitrile
CID 137169286
(6R,7S)-6-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]spiro[2.5]octane-7-carbonitrile
CID 136950730
(6S,7R)-6-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]spiro[2.5]octane-7-carbonitrile
CID 140742513
cis-(1S,2S)-2-[3-[4-(methylsulfonimidoyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137026594
2-[3-[4-(methylsulfonimidoyl)anilino]-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 136639283
ethane;2-[1-(5-methyl-2-pyridinyl)-4-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-4-yl]acetonitrile
CID 144713387
4-[[1-[(2S)-1-cyanopropan-2-yl]-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 136639322
2-[1-(5-bromo-2-pyridinyl)-4-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-4-yl]acetonitrile
CID 136639327
N-tert-butyl-4-[(1-cycloheptyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)amino]-N-methylbenzenesulfonamide
CID 137160996

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one (CID 136950392) is 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one is Cn1nc(Nc2ccc(S(C)(=O)=O)cc2)c2c(=O)[nH]ccc21.
What is the InChIKey of 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is RWYNQKHEKPVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-18-11-7-8-15-14(19)12(11)13(17-18)16-9-3-5-10(6-4-9)22(2,20)21/h3-8H,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one?
1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 318.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylsulfonylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 136950392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).