5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine

C20H15BrClN3O — CID 59327536

IUPAC5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc1Cl
InChIInChI=1S/C20H15BrClN3O/c1-26-17-8-7-13(11-16(17)22)20(12-4-2-5-14(21)10-12)15-6-3-9-24-18(15)19(23)25-20/h2-11H,1H3,(H2,23,25)
InChIKeyXZILLEKTTVTWHS-UHFFFAOYSA-N
MW428.72 g/mol
LogP4.52
Rot. Bonds3

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

5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 59327536) has the molecular formula C20H15BrClN3O and a molecular weight of 428.72 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
PubChem CID59327536
Molecular FormulaC20H15BrClN3O
Molecular Weight428.72 g/mol
Exact Mass427.01
IUPAC Name5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc1Cl
InChIInChI=1S/C20H15BrClN3O/c1-26-17-8-7-13(11-16(17)22)20(12-4-2-5-14(21)10-12)15-6-3-9-24-18(15)19(23)25-20/h2-11H,1H3,(H2,23,25)
InChIKeyXZILLEKTTVTWHS-UHFFFAOYSA-N
XLogP4.52
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.72
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327529
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
CID 59596275
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327604
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 67273059
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 46207382
5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203681
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-(3-fluoropropoxy)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 46207385

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine (CID 59327536) is 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine is COc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc1Cl.
What is the InChIKey of 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is XZILLEKTTVTWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN3O/c1-26-17-8-7-13(11-16(17)22)20(12-4-2-5-14(21)10-12)15-6-3-9-24-18(15)19(23)25-20/h2-11H,1H3,(H2,23,25).
What are the key properties of 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine?
5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 428.72 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 59327536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).