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

C19H17F4N3 — CID 71504189

IUPAC4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(C(F)(F)F)cnc3[nH]c(C4CCNCC4)cc23)cc1
InChIInChI=1S/C19H17F4N3/c20-13-3-1-12(2-4-13)17-14-9-16(11-5-7-24-8-6-11)26-18(14)25-10-15(17)19(21,22)23/h1-4,9-11,24H,5-8H2,(H,25,26)
InChIKeyIOVHCOZADQPBBL-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.85
Rot. Bonds2

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

4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71504189) has the molecular formula C19H17F4N3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71504189
Molecular FormulaC19H17F4N3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(C(F)(F)F)cnc3[nH]c(C4CCNCC4)cc23)cc1
InChIInChI=1S/C19H17F4N3/c20-13-3-1-12(2-4-13)17-14-9-16(11-5-7-24-8-6-11)26-18(14)25-10-15(17)19(21,22)23/h1-4,9-11,24H,5-8H2,(H,25,26)
InChIKeyIOVHCOZADQPBBL-UHFFFAOYSA-N
XLogP4.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-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

5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 90412385
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
CID 170620327
[3,5-difluoro-4-(trifluoromethoxy)phenyl]-[4-(5-fluoro-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162749099
5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 164929988
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 90169763
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)aniline
CID 90420324
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidine
CID 89442792
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3-thiazole
CID 118426930
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 118483483

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 71504189) is 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2c(C(F)(F)F)cnc3[nH]c(C4CCNCC4)cc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IOVHCOZADQPBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3/c20-13-3-1-12(2-4-13)17-14-9-16(11-5-7-24-8-6-11)26-18(14)25-10-15(17)19(21,22)23/h1-4,9-11,24H,5-8H2,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 363.36 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71504189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).