4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide

C20H16F3N5O2S — CID 44548925

IUPAC4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2nc3ccc(-c4cn[nH]c4C(F)(F)F)nc3s2)cc1
InChIInChI=1S/C20H16F3N5O2S/c1-19(2,30)11-5-3-10(4-6-11)16(29)27-18-26-14-8-7-13(25-17(14)31-18)12-9-24-28-15(12)20(21,22)23/h3-9,30H,1-2H3,(H,24,28)(H,26,27,29)
InChIKeyASZHUIHQHLYOMP-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.58
Rot. Bonds4

About 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide

4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (PubChem CID 44548925) has the molecular formula C20H16F3N5O2S and a molecular weight of 447.44 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
PubChem CID44548925
Molecular FormulaC20H16F3N5O2S
Molecular Weight447.44 g/mol
Exact Mass447.10
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2nc3ccc(-c4cn[nH]c4C(F)(F)F)nc3s2)cc1
InChIInChI=1S/C20H16F3N5O2S/c1-19(2,30)11-5-3-10(4-6-11)16(29)27-18-26-14-8-7-13(25-17(14)31-18)12-9-24-28-15(12)20(21,22)23/h3-9,30H,1-2H3,(H,24,28)(H,26,27,29)
InChIKeyASZHUIHQHLYOMP-UHFFFAOYSA-N
XLogP4.58
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-methyl-1-oxo-1-[[4-(trifluoromethyl)-6H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl]amino]propan-2-yl]amino]benzoic acid
CID 57951277
US11649255, Example 188
CID 163221266
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methylpyrazol-3-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126826
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548777
N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 44549072
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)thiophene-3-carboxamide
CID 44554972
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(1H-pyrrolo[3,2-b]pyridin-5-ylamino)thiophene-3-carboxamide
CID 44554973
N-(5-(3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl)thiazolo[5,4-b]pyridine-2-yl)benzamide
CID 57527230
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(1-methyl-1H-1,2,3-triazol-4-yl)pyridin-2-yl]amino}thiophene-3-carboxamide
CID 59525656
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]amino}thiophene-3-carboxamide
CID 59525713
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{1,1-dimethyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 59525723
5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(1H-pyrazol-4-yl)pyridin-2-yl]amino}thiophene-3-carboxamide
CID 59525726

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide (CID 44548925) is 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(-c4cn[nH]c4C(F)(F)F)nc3s2)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
The InChIKey is ASZHUIHQHLYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2S/c1-19(2,30)11-5-3-10(4-6-11)16(29)27-18-26-14-8-7-13(25-17(14)31-18)12-9-24-28-15(12)20(21,22)23/h3-9,30H,1-2H3,(H,24,28)(H,26,27,29).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide?
4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide has a molecular weight of 447.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 44548925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).