2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C22H17F3N4O3 — CID 145491800

IUPAC2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCNC(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1
InChIInChI=1S/C22H17F3N4O3/c1-26-21(31)19(30)14-6-12(8-27-9-14)13-7-16-17(11-29-20(16)28-10-13)15-4-2-3-5-18(15)32-22(23,24)25/h2-11,19,30H,1H3,(H,26,31)(H,28,29)
InChIKeyCPGLOBDAGFCVDL-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.97
Rot. Bonds5

About 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 145491800) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID145491800
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Name2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCNC(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1
InChIInChI=1S/C22H17F3N4O3/c1-26-21(31)19(30)14-6-12(8-27-9-14)13-7-16-17(11-29-20(16)28-10-13)15-4-2-3-5-18(15)32-22(23,24)25/h2-11,19,30H,1H3,(H,26,31)(H,28,29)
InChIKeyCPGLOBDAGFCVDL-UHFFFAOYSA-N
XLogP3.97
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 23625310
1-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxyethanone
CID 90412498
4-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 44529739
3-[4-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 44529767
1-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 89914679
(2S)-4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
CID 89914748
1-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 89915007
3-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propane-1,2-diol
CID 90412005
2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 90412172
4-[5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxylic acid
CID 90412334
2-[(2R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
CID 90412419

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 145491800) is 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CNC(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1.
What is the InChIKey of 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is CPGLOBDAGFCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c1-26-21(31)19(30)14-6-12(8-27-9-14)13-7-16-17(11-29-20(16)28-10-13)15-4-2-3-5-18(15)32-22(23,24)25/h2-11,19,30H,1H3,(H,26,31)(H,28,29).
What are the key properties of 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 442.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-2-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 145491800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).