N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide

C17H18N4O3S — CID 31520473

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc12
InChIInChI=1S/C17H18N4O3S/c1-11-15-8-14(9-18-16(15)21(2)20-11)19-17(22)13-6-4-5-12(7-13)10-25(3,23)24/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyNEDFLBKHQWMMQM-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.07
Rot. Bonds4

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide (PubChem CID 31520473) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
PubChem CID31520473
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc12
InChIInChI=1S/C17H18N4O3S/c1-11-15-8-14(9-18-16(15)21(2)20-11)19-17(22)13-6-4-5-12(7-13)10-25(3,23)24/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyNEDFLBKHQWMMQM-UHFFFAOYSA-N
XLogP2.07
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
CID 134024967
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 26126263
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 43072017
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134024993
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 55515651
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
CID 31520358
methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55775470

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide (CID 31520473) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide is Cc1nn(C)c2ncc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide?
The InChIKey is NEDFLBKHQWMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-15-8-14(9-18-16(15)21(2)20-11)19-17(22)13-6-4-5-12(7-13)10-25(3,23)24/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 31520473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).