5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

C25H20FN5O — CID 46203681

IUPAC5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1c(C)cc(C2(c3cccc(-c4cnccn4)c3)N=C(N)c3ncccc32)cc1F
InChIInChI=1S/C25H20FN5O/c1-15-11-18(13-20(26)23(15)32-2)25(19-7-4-8-30-22(19)24(27)31-25)17-6-3-5-16(12-17)21-14-28-9-10-29-21/h3-14H,1-2H3,(H2,27,31)
InChIKeyKJFNQPKFHNUVMQ-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.01
Rot. Bonds4

About 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 46203681) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
PubChem CID46203681
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1c(C)cc(C2(c3cccc(-c4cnccn4)c3)N=C(N)c3ncccc32)cc1F
InChIInChI=1S/C25H20FN5O/c1-15-11-18(13-20(26)23(15)32-2)25(19-7-4-8-30-22(19)24(27)31-25)17-6-3-5-16(12-17)21-14-28-9-10-29-21/h3-14H,1-2H3,(H2,27,31)
InChIKeyKJFNQPKFHNUVMQ-UHFFFAOYSA-N
XLogP4.01
TPSA86.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203377
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-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327604
5-[3-cyclopropyl-4-(difluoromethoxy)-5-methylphenyl]-5-phenylpyrrolo[3,4-b]pyridin-7-amine
CID 46204347
2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile
CID 46204011
2-[3-[3-amino-4-fluoro-1-(2-methoxy-4-pyridinyl)isoindol-1-yl]phenyl]pyridine-4-carbonitrile
CID 46202414
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327536
3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
CID 141243095

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (CID 46203681) is 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is COc1c(C)cc(C2(c3cccc(-c4cnccn4)c3)N=C(N)c3ncccc32)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is KJFNQPKFHNUVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-15-11-18(13-20(26)23(15)32-2)25(19-7-4-8-30-22(19)24(27)31-25)17-6-3-5-16(12-17)21-14-28-9-10-29-21/h3-14H,1-2H3,(H2,27,31).
What are the key properties of 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 425.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 46203681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).