2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide

C16H15ClN4O3S — CID 31520358

IUPAC2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc12
InChIInChI=1S/C16H15ClN4O3S/c1-9-12-6-10(8-18-15(12)21(2)20-9)19-16(22)13-7-11(25(3,23)24)4-5-14(13)17/h4-8H,1-3H3,(H,19,22)
InChIKeyGYUSMTDUGKJLNC-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide

2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide (PubChem CID 31520358) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
PubChem CID31520358
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC Name2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc12
InChIInChI=1S/C16H15ClN4O3S/c1-9-12-6-10(8-18-15(12)21(2)20-9)19-16(22)13-7-11(25(3,23)24)4-5-14(13)17/h4-8H,1-3H3,(H,19,22)
InChIKeyGYUSMTDUGKJLNC-UHFFFAOYSA-N
XLogP2.59
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 55515651
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide
CID 134024983
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide
CID 55457138
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 100619755
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 31520473
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 86917126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide (CID 31520358) is 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide is Cc1nn(C)c2ncc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc12.
What is the InChIKey of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide?
The InChIKey is GYUSMTDUGKJLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c1-9-12-6-10(8-18-15(12)21(2)20-9)19-16(22)13-7-11(25(3,23)24)4-5-14(13)17/h4-8H,1-3H3,(H,19,22).
What are the key properties of 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide?
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide has a molecular weight of 378.84 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 31520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).