2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

C19H17F3N4 — CID 174651363

IUPAC2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3=CC=NCC3)cc2c1
InChIInChI=1S/C19H17F3N4/c1-2-26-17(11-18(25-26)19(20,21)22)13-3-4-15-14(9-13)10-16(24-15)12-5-7-23-8-6-12/h3-5,7,9-11,24H,2,6,8H2,1H3
InChIKeyCMFUJRKTKPALGM-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.93
Rot. Bonds3

About 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (PubChem CID 174651363) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
PubChem CID174651363
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3=CC=NCC3)cc2c1
InChIInChI=1S/C19H17F3N4/c1-2-26-17(11-18(25-26)19(20,21)22)13-3-4-15-14(9-13)10-16(24-15)12-5-7-23-8-6-12/h3-5,7,9-11,24H,2,6,8H2,1H3
InChIKeyCMFUJRKTKPALGM-UHFFFAOYSA-N
XLogP4.93
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole 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

5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
CID 58200577
tert-butyl 4-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indol-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 67042182
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 71603595
1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
CID 177142047
2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole
CID 58200603
2-(2,6-difluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
CID 58200521
4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole
CID 67557145
1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 70851896
2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-1H-indole
CID 51036879
2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
CID 58200700
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The IUPAC name of 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (CID 174651363) is 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The canonical SMILES for 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3=CC=NCC3)cc2c1.
What is the InChIKey of 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The InChIKey is CMFUJRKTKPALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c1-2-26-17(11-18(25-26)19(20,21)22)13-3-4-15-14(9-13)10-16(24-15)12-5-7-23-8-6-12/h3-5,7,9-11,24H,2,6,8H2,1H3.
What are the key properties of 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole has a molecular weight of 358.37 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 174651363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).