5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine

C21H17BrFN3 — CID 59327504

IUPAC5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc(C)c1F
InChIInChI=1S/C21H17BrFN3/c1-12-9-15(10-13(2)18(12)23)21(14-5-3-6-16(22)11-14)17-7-4-8-25-19(17)20(24)26-21/h3-11H,1-2H3,(H2,24,26)
InChIKeyUTQJFLIMLCFGKS-UHFFFAOYSA-N
MW410.29 g/mol
LogP4.61
Rot. Bonds2

About 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine

5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 59327504) has the molecular formula C21H17BrFN3 and a molecular weight of 410.29 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
PubChem CID59327504
Molecular FormulaC21H17BrFN3
Molecular Weight410.29 g/mol
Exact Mass409.06
IUPAC Name5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc(C)c1F
InChIInChI=1S/C21H17BrFN3/c1-12-9-15(10-13(2)18(12)23)21(14-5-3-6-16(22)11-14)17-7-4-8-25-19(17)20(24)26-21/h3-11H,1-2H3,(H2,24,26)
InChIKeyUTQJFLIMLCFGKS-UHFFFAOYSA-N
XLogP4.61
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327536
5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327529
9-(fluoromethoxy)-10-methylspiro[3,6-diazatetracyclo[12.3.1.18,12.02,7]nonadeca-1(18),2,4,6,8,10,12(19),14,16-nonaene-13,5'-pyrrolo[3,4-b]pyridine]-7'-amine
CID 91431690
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203681
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
CID 59596275
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
5-[3-cyclopropyl-4-(difluoromethoxy)-5-methylphenyl]-5-phenylpyrrolo[3,4-b]pyridin-7-amine
CID 46204347
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327604
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine
CID 59596314
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 67273059

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine (CID 59327504) is 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine is Cc1cc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc(C)c1F.
What is the InChIKey of 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is UTQJFLIMLCFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN3/c1-12-9-15(10-13(2)18(12)23)21(14-5-3-6-16(22)11-14)17-7-4-8-25-19(17)20(24)26-21/h3-11H,1-2H3,(H2,24,26).
What are the key properties of 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 410.29 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 59327504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).