5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine

C22H17F3N2 — CID 135035692

IUPAC5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2/c1-15-10-18-12-20(17-7-3-2-4-8-17)27(21(18)26-13-15)14-16-6-5-9-19(11-16)22(23,24)25/h2-13H,14H2,1H3
InChIKeyPUUXFKTXIOBOQG-UHFFFAOYSA-N
MW366.39 g/mol
LogP6.08
Rot. Bonds3

About 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine

5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine (PubChem CID 135035692) has the molecular formula C22H17F3N2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
PubChem CID135035692
Molecular FormulaC22H17F3N2
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2/c1-15-10-18-12-20(17-7-3-2-4-8-17)27(21(18)26-13-15)14-16-6-5-9-19(11-16)22(23,24)25/h2-13H,14H2,1H3
InChIKeyPUUXFKTXIOBOQG-UHFFFAOYSA-N
XLogP6.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
L-790070
CID 9806182
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
CP-154526
CID 5311055
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CID 46930969
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine (CID 135035692) is 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine is Cc1cnc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is PUUXFKTXIOBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2/c1-15-10-18-12-20(17-7-3-2-4-8-17)27(21(18)26-13-15)14-16-6-5-9-19(11-16)22(23,24)25/h2-13H,14H2,1H3.
What are the key properties of 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 366.39 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135035692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).