6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine

C22H14F6N2 — CID 170855362

IUPAC6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccccc2)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21
InChIInChI=1S/C22H14F6N2/c1-30-12-18(13-5-3-2-4-6-13)17-7-8-19(29-20(17)30)14-9-15(21(23,24)25)11-16(10-14)22(26,27)28/h2-12H,1H3
InChIKeyPKDWUOHUTVQVEA-UHFFFAOYSA-N
MW420.36 g/mol
LogP6.94
Rot. Bonds2

About 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine

6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine (PubChem CID 170855362) has the molecular formula C22H14F6N2 and a molecular weight of 420.36 g/mol. Its IUPAC name is 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine
PubChem CID170855362
Molecular FormulaC22H14F6N2
Molecular Weight420.36 g/mol
Exact Mass420.11
IUPAC Name6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccccc2)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21
InChIInChI=1S/C22H14F6N2/c1-30-12-18(13-5-3-2-4-6-13)17-7-8-19(29-20(17)30)14-9-15(21(23,24)25)11-16(10-14)22(26,27)28/h2-12H,1H3
InChIKeyPKDWUOHUTVQVEA-UHFFFAOYSA-N
XLogP6.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.36
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[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

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
L-790070
CID 9806182
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
CP-154526
CID 5311055
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
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
2-Phenylimidazo(1,2-a)pyridine
CID 201136

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine (CID 170855362) is 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine is Cn1cc(-c2ccccc2)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21.
What is the InChIKey of 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is PKDWUOHUTVQVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2/c1-30-12-18(13-5-3-2-4-6-13)17-7-8-19(29-20(17)30)14-9-15(21(23,24)25)11-16(10-14)22(26,27)28/h2-12H,1H3.
What are the key properties of 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine?
6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 420.36 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170855362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).