N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide

C15H21N5O3S — CID 51334705

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc12
InChIInChI=1S/C15H21N5O3S/c1-10-13-8-12(9-16-14(13)19(2)18-10)17-15(21)11-4-6-20(7-5-11)24(3,22)23/h8-9,11H,4-7H2,1-3H3,(H,17,21)
InChIKeyWJOBHTLZMMRYGD-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.89
Rot. Bonds3

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

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 51334705) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID51334705
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc12
InChIInChI=1S/C15H21N5O3S/c1-10-13-8-12(9-16-14(13)19(2)18-10)17-15(21)11-4-6-20(7-5-11)24(3,22)23/h8-9,11H,4-7H2,1-3H3,(H,17,21)
InChIKeyWJOBHTLZMMRYGD-UHFFFAOYSA-N
XLogP0.89
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 55515782
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 18209133
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 139000026
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)cyclohexane-1-carboxamide
CID 64822961
1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
CID 42939650
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 136571775
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122297890
(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(oxan-4-ylsulfonyl)propanamide
CID 97229365
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrrolidine-2-carboxamide
CID 139009521
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608361

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 51334705) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1nn(C)c2ncc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is WJOBHTLZMMRYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-10-13-8-12(9-16-14(13)19(2)18-10)17-15(21)11-4-6-20(7-5-11)24(3,22)23/h8-9,11H,4-7H2,1-3H3,(H,17,21).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.89, 3 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)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 51334705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).