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

C20H14F6N4O — CID 141258113

IUPAC4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(Oc1ccc(-c2cc(-c3ccnc4[nH]ccc34)[nH]n2)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H14F6N4O/c1-10(19(21,22)23)31-17-3-2-11(8-14(17)20(24,25)26)15-9-16(30-29-15)12-4-6-27-18-13(12)5-7-28-18/h2-10H,1H3,(H,27,28)(H,29,30)
InChIKeyKVDKODMRVXVCDS-UHFFFAOYSA-N
MW440.35 g/mol
LogP5.97
Rot. Bonds4

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

4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141258113) has the molecular formula C20H14F6N4O and a molecular weight of 440.35 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID141258113
Molecular FormulaC20H14F6N4O
Molecular Weight440.35 g/mol
Exact Mass440.11
IUPAC Name4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(Oc1ccc(-c2cc(-c3ccnc4[nH]ccc34)[nH]n2)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H14F6N4O/c1-10(19(21,22)23)31-17-3-2-11(8-14(17)20(24,25)26)15-9-16(30-29-15)12-4-6-27-18-13(12)5-7-28-18/h2-10H,1H3,(H,27,28)(H,29,30)
InChIKeyKVDKODMRVXVCDS-UHFFFAOYSA-N
XLogP5.97
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl substituted pyrazole, 28
CID 23648676
1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
CID 44587530
N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394
7-cyclohexyl-3-(1H-tetrazol-5-yl)-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
CID 15958010
N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142477311
5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 163322400
5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 168287199
5-[(2R)-2-[2-(2,2-difluoroethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 168293042
4-(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4-methoxyphenyl)-2-methylbut-3-yn-2-ol
CID 11510363

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 141258113) is 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is CC(Oc1ccc(-c2cc(-c3ccnc4[nH]ccc34)[nH]n2)cc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KVDKODMRVXVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N4O/c1-10(19(21,22)23)31-17-3-2-11(8-14(17)20(24,25)26)15-9-16(30-29-15)12-4-6-27-18-13(12)5-7-28-18/h2-10H,1H3,(H,27,28)(H,29,30).
What are the key properties of 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 440.35 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141258113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).