4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine

C17H9F3N4 — CID 162615860

IUPAC4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cccc(-c2c#cn(-c3ccnc4[nH]ccc34)n2)c1
InChIInChI=1S/C17H9F3N4/c18-17(19,20)12-3-1-2-11(10-12)14-6-9-24(23-14)15-5-8-22-16-13(15)4-7-21-16/h1-5,7-8,10H,(H,21,22)
InChIKeyMMKFYTBVUVCCEG-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.03
Rot. Bonds2

About 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162615860) has the molecular formula C17H9F3N4 and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID162615860
Molecular FormulaC17H9F3N4
Molecular Weight326.28 g/mol
Exact Mass326.08
IUPAC Name4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cccc(-c2c#cn(-c3ccnc4[nH]ccc34)n2)c1
InChIInChI=1S/C17H9F3N4/c18-17(19,20)12-3-1-2-11(10-12)14-6-9-24(23-14)15-5-8-22-16-13(15)4-7-21-16/h1-5,7-8,10H,(H,21,22)
InChIKeyMMKFYTBVUVCCEG-UHFFFAOYSA-N
XLogP4.03
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 118078364
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
4-[2-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 67388189
3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 68905101
1-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 148630828
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine
CID 56592732
4-methyl-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170172203
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
CID 50997091
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166375892

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine (CID 162615860) is 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)c1cccc(-c2c#cn(-c3ccnc4[nH]ccc34)n2)c1.
What is the InChIKey of 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MMKFYTBVUVCCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4/c18-17(19,20)12-3-1-2-11(10-12)14-6-9-24(23-14)15-5-8-22-16-13(15)4-7-21-16/h1-5,7-8,10H,(H,21,22).
What are the key properties of 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 326.28 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162615860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).