5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine

C25H27FN2S — CID 71083876

IUPAC5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine
SMILESCCC(CC)n1cc(C)c2nc(-c3sc(-c4ccc(F)cc4)cc3C)c(C)cc21
InChIInChI=1S/C25H27FN2S/c1-6-20(7-2)28-14-17(5)23-21(28)12-15(3)24(27-23)25-16(4)13-22(29-25)18-8-10-19(26)11-9-18/h8-14,20H,6-7H2,1-5H3
InChIKeyZRCCUTSOYOUWHK-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.86
Rot. Bonds5

About 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine

5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine (PubChem CID 71083876) has the molecular formula C25H27FN2S and a molecular weight of 406.57 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine
PubChem CID71083876
Molecular FormulaC25H27FN2S
Molecular Weight406.57 g/mol
Exact Mass406.19
IUPAC Name5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine
SMILESCCC(CC)n1cc(C)c2nc(-c3sc(-c4ccc(F)cc4)cc3C)c(C)cc21
InChIInChI=1S/C25H27FN2S/c1-6-20(7-2)28-14-17(5)23-21(28)12-15(3)24(27-23)25-16(4)13-22(29-25)18-8-10-19(26)11-9-18/h8-14,20H,6-7H2,1-5H3
InChIKeyZRCCUTSOYOUWHK-UHFFFAOYSA-N
XLogP7.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-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

dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
4-[1-ethyl-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11012564
3-(4-Fluorophenyl)-1-methyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 11822822
1-methyl-3-[(1-methyl-1H-indol-3-yl)(thien-2-yl)methyl]-1H-indole
CID 5087383
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
Dimethyl-[2-(6-thiophen-3-yl-indol-1-yl)-ethyl]-amine
CID 18007589

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine (CID 71083876) is 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine is CCC(CC)n1cc(C)c2nc(-c3sc(-c4ccc(F)cc4)cc3C)c(C)cc21.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
The InChIKey is ZRCCUTSOYOUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2S/c1-6-20(7-2)28-14-17(5)23-21(28)12-15(3)24(27-23)25-16(4)13-22(29-25)18-8-10-19(26)11-9-18/h8-14,20H,6-7H2,1-5H3.
What are the key properties of 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine has a molecular weight of 406.57 g/mol, XLogP of 7.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-methylthiophen-2-yl]-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 71083876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).