2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

C22H20F3N5O2 — CID 135903330

IUPAC2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCN(C)C(=O)C(O)c1cccc(-c2cnc3[nH]cc(-c4ccnn4CC(F)(F)F)c3c2)c1
InChIInChI=1S/C22H20F3N5O2/c1-29(2)21(32)19(31)14-5-3-4-13(8-14)15-9-16-17(11-27-20(16)26-10-15)18-6-7-28-30(18)12-22(23,24)25/h3-11,19,31H,12H2,1-2H3,(H,26,27)
InChIKeyFWAPJYLJYATFQM-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.78
Rot. Bonds5

About 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 135903330) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
PubChem CID135903330
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCN(C)C(=O)C(O)c1cccc(-c2cnc3[nH]cc(-c4ccnn4CC(F)(F)F)c3c2)c1
InChIInChI=1S/C22H20F3N5O2/c1-29(2)21(32)19(31)14-5-3-4-13(8-14)15-9-16-17(11-27-20(16)26-10-15)18-6-7-28-30(18)12-22(23,24)25/h3-11,19,31H,12H2,1-2H3,(H,26,27)
InChIKeyFWAPJYLJYATFQM-UHFFFAOYSA-N
XLogP3.78
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide with MolForge

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Related Compounds

4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
CID 136491579
US10793575, Example 13
CID 139529654
4-[[3-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methylamino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 44526242
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
CID 136961398
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
CID 137647965
1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol
CID 44595130
US10023570, Example 317
CID 124200024
US10023570, Example 318
CID 124200049
US10023570, Example 319
CID 124200050
US10023570, Example 268
CID 124200130
US10023570, Example 321
CID 126740416
4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)-N-[3,3,3-trifluoro-2-(4-fluorophenyl)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 136980349

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (CID 135903330) is 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is CN(C)C(=O)C(O)c1cccc(-c2cnc3[nH]cc(-c4ccnn4CC(F)(F)F)c3c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is FWAPJYLJYATFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-29(2)21(32)19(31)14-5-3-4-13(8-14)15-9-16-17(11-27-20(16)26-10-15)18-6-7-28-30(18)12-22(23,24)25/h3-11,19,31H,12H2,1-2H3,(H,26,27).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[3-[3-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 135903330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).