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

C17H18ClN5O3S — CID 55515651

IUPAC4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)cc12
InChIInChI=1S/C17H18ClN5O3S/c1-10-13-8-12(9-19-16(13)23(4)21-10)20-17(24)11-5-6-14(18)15(7-11)27(25,26)22(2)3/h5-9H,1-4H3,(H,20,24)
InChIKeyYCISPBYLMHRSIG-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.43
Rot. Bonds4

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

4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 55515651) has the molecular formula C17H18ClN5O3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
PubChem CID55515651
Molecular FormulaC17H18ClN5O3S
Molecular Weight407.88 g/mol
Exact Mass407.08
IUPAC Name4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)cc12
InChIInChI=1S/C17H18ClN5O3S/c1-10-13-8-12(9-19-16(13)23(4)21-10)20-17(24)11-5-6-14(18)15(7-11)27(25,26)22(2)3/h5-9H,1-4H3,(H,20,24)
InChIKeyYCISPBYLMHRSIG-UHFFFAOYSA-N
XLogP2.43
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
CID 134024967
4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520075
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30830270
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
CID 31520358
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-(methylsulfonylmethyl)benzamide
CID 31520473
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
CID 49158796
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 100619755
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide (CID 55515651) is 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide is Cc1nn(C)c2ncc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)cc12.
What is the InChIKey of 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is YCISPBYLMHRSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S/c1-10-13-8-12(9-19-16(13)23(4)21-10)20-17(24)11-5-6-14(18)15(7-11)27(25,26)22(2)3/h5-9H,1-4H3,(H,20,24).
What are the key properties of 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 407.88 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55515651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).