N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

C22H25N5O3S — CID 18209133

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc12
InChIInChI=1S/C22H25N5O3S/c1-16-20-14-19(15-23-21(20)26(2)25-16)24-22(28)18-8-11-27(12-9-18)31(29,30)13-10-17-6-4-3-5-7-17/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,24,28)/b13-10+
InChIKeyXSXPBDMRCVAQTN-JLHYYAGUSA-N
MW439.54 g/mol
LogP2.93
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 18209133) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
PubChem CID18209133
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc12
InChIInChI=1S/C22H25N5O3S/c1-16-20-14-19(15-23-21(20)26(2)25-16)24-22(28)18-8-11-27(12-9-18)31(29,30)13-10-17-6-4-3-5-7-17/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,24,28)/b13-10+
InChIKeyXSXPBDMRCVAQTN-JLHYYAGUSA-N
XLogP2.93
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 51334705
1-(2,5-dichlorophenyl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 55515782
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608361
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 55515473
N-(3-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9410934
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087824
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 139000026
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide
CID 94181192
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (CID 18209133) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is Cc1nn(C)c2ncc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is XSXPBDMRCVAQTN-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-16-20-14-19(15-23-21(20)26(2)25-16)24-22(28)18-8-11-27(12-9-18)31(29,30)13-10-17-6-4-3-5-7-17/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,24,28)/b13-10+.
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.93, 5 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-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 18209133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).