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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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).