(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C19H20F3N5O3S — CID 37244583

IUPAC(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)n1ncc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C19H20F3N5O3S/c1-11(2)27-17-13(9-24-27)8-14(10-23-17)25-18(28)12(3)26-31(29,30)16-7-5-4-6-15(16)19(20,21)22/h4-12,26H,1-3H3,(H,25,28)/t12-/m0/s1
InChIKeyBGRIXVHIUBFXOW-LBPRGKRZSA-N
MW455.46 g/mol
LogP3.34
Rot. Bonds6

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

(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 37244583) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID37244583
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC Name(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)n1ncc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C19H20F3N5O3S/c1-11(2)27-17-13(9-24-27)8-14(10-23-17)25-18(28)12(3)26-31(29,30)16-7-5-4-6-15(16)19(20,21)22/h4-12,26H,1-3H3,(H,25,28)/t12-/m0/s1
InChIKeyBGRIXVHIUBFXOW-LBPRGKRZSA-N
XLogP3.34
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 42890223
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26956251
N-naphthalen-2-yl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 166190909
(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35026880
(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 34313702
(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55938130
N-[(2S)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 30132868
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344346
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
N-(1H-benzimidazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 42895522
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 37244583) is (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(C)n1ncc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3C(F)(F)F)cnc21.
What is the InChIKey of (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is BGRIXVHIUBFXOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c1-11(2)27-17-13(9-24-27)8-14(10-23-17)25-18(28)12(3)26-31(29,30)16-7-5-4-6-15(16)19(20,21)22/h4-12,26H,1-3H3,(H,25,28)/t12-/m0/s1.
What are the key properties of (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 455.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 37244583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).