5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine

C25H19FN4O — CID 25119895

IUPAC5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)c4ncccc43)c2)c1F
InChIInChI=1S/C25H19FN4O/c1-31-21-9-3-7-19(22(21)26)16-5-2-6-18(15-16)25(17-10-13-28-14-11-17)20-8-4-12-29-23(20)24(27)30-25/h2-15H,1H3,(H2,27,30)
InChIKeyGQVVBHZLHFOHIF-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.30
Rot. Bonds4

About 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine

5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine (PubChem CID 25119895) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
PubChem CID25119895
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)c4ncccc43)c2)c1F
InChIInChI=1S/C25H19FN4O/c1-31-21-9-3-7-19(22(21)26)16-5-2-6-18(15-16)25(17-10-13-28-14-11-17)20-8-4-12-29-23(20)24(27)30-25/h2-15H,1H3,(H2,27,30)
InChIKeyGQVVBHZLHFOHIF-UHFFFAOYSA-N
XLogP4.30
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
CID 143599384
3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-4H-imidazo[1,5-a]pyrimidin-1-ium-6-amine
CID 143594432
8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24989869
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327604
5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203681
3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-(4-methylsulfonylphenyl)isoindol-1-amine
CID 25154233
5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 46207382
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-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203377

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine (CID 25119895) is 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine is COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)c4ncccc43)c2)c1F.
What is the InChIKey of 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is GQVVBHZLHFOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O/c1-31-21-9-3-7-19(22(21)26)16-5-2-6-18(15-16)25(17-10-13-28-14-11-17)20-8-4-12-29-23(20)24(27)30-25/h2-15H,1H3,(H2,27,30).
What are the key properties of 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine?
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 410.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 25119895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).