N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C22H24F3N5O3S — CID 26956251

IUPACN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)cnc21
InChIInChI=1S/C22H24F3N5O3S/c1-14(2)30-20-16(12-27-30)11-17(13-26-20)28-21(31)15-7-9-29(10-8-15)34(32,33)19-6-4-3-5-18(19)22(23,24)25/h3-6,11-15H,7-10H2,1-2H3,(H,28,31)
InChIKeyKHHVOHKDSMTVBY-UHFFFAOYSA-N
MW495.53 g/mol
LogP4.07
Rot. Bonds5

About N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 26956251) has the molecular formula C22H24F3N5O3S and a molecular weight of 495.53 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID26956251
Molecular FormulaC22H24F3N5O3S
Molecular Weight495.53 g/mol
Exact Mass495.16
IUPAC NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)cnc21
InChIInChI=1S/C22H24F3N5O3S/c1-14(2)30-20-16(12-27-30)11-17(13-26-20)28-21(31)15-7-9-29(10-8-15)34(32,33)19-6-4-3-5-18(19)22(23,24)25/h3-6,11-15H,7-10H2,1-2H3,(H,28,31)
InChIKeyKHHVOHKDSMTVBY-UHFFFAOYSA-N
XLogP4.07
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 46653560
(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37244583
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 61258310
1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 26956252
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26894064
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27649274
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 26956251) is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)cnc21.
What is the InChIKey of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is KHHVOHKDSMTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3S/c1-14(2)30-20-16(12-27-30)11-17(13-26-20)28-21(31)15-7-9-29(10-8-15)34(32,33)19-6-4-3-5-18(19)22(23,24)25/h3-6,11-15H,7-10H2,1-2H3,(H,28,31).
What are the key properties of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26956251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).