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

C21H25N5O3S — CID 134024993

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)cc12
InChIInChI=1S/C21H25N5O3S/c1-14-7-4-5-10-26(14)30(28,29)18-9-6-8-16(11-18)21(27)23-17-12-19-15(2)24-25(3)20(19)22-13-17/h6,8-9,11-14H,4-5,7,10H2,1-3H3,(H,23,27)
InChIKeyHUDKKOMPPUBEPB-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.09
Rot. Bonds4

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

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 134024993) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID134024993
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)cc12
InChIInChI=1S/C21H25N5O3S/c1-14-7-4-5-10-26(14)30(28,29)18-9-6-8-16(11-18)21(27)23-17-12-19-15(2)24-25(3)20(19)22-13-17/h6,8-9,11-14H,4-5,7,10H2,1-3H3,(H,23,27)
InChIKeyHUDKKOMPPUBEPB-UHFFFAOYSA-N
XLogP3.09
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
3-(2-methylpiperidin-1-yl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55881490
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 31520473
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112805830
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789
N-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112759122
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 134024993) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1nn(C)c2ncc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is HUDKKOMPPUBEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-14-7-4-5-10-26(14)30(28,29)18-9-6-8-16(11-18)21(27)23-17-12-19-15(2)24-25(3)20(19)22-13-17/h6,8-9,11-14H,4-5,7,10H2,1-3H3,(H,23,27).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 427.53 g/mol, XLogP of 3.09, 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-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 134024993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).