5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine

C20H15F3N4O — CID 59327604

IUPAC5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1cccc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)c3ncccc32)c1
InChIInChI=1S/C20H15F3N4O/c1-28-14-5-2-4-12(10-14)19(13-7-9-25-16(11-13)20(21,22)23)15-6-3-8-26-17(15)18(24)27-19/h2-11H,1H3,(H2,24,27)
InChIKeyYOGZGDGWJYNXGC-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.51
Rot. Bonds3

About 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine

5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 59327604) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
PubChem CID59327604
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
SMILESCOc1cccc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)c3ncccc32)c1
InChIInChI=1S/C20H15F3N4O/c1-28-14-5-2-4-12(10-14)19(13-7-9-25-16(11-13)20(21,22)23)15-6-3-8-26-17(15)18(24)27-19/h2-11H,1H3,(H2,24,27)
InChIKeyYOGZGDGWJYNXGC-UHFFFAOYSA-N
XLogP3.51
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(3-fluoropropoxy)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 46207385
2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile
CID 46204011
5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327529
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
5-[3-(cyclopentylmethoxy)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 46207382
5-chloro-7-fluoro-3-(2-methoxyphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-amine
CID 175273194
5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327536
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
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine
CID 59596261
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

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine (CID 59327604) is 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine is COc1cccc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)c3ncccc32)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is YOGZGDGWJYNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-28-14-5-2-4-12(10-14)19(13-7-9-25-16(11-13)20(21,22)23)15-6-3-8-26-17(15)18(24)27-19/h2-11H,1H3,(H2,24,27).
What are the key properties of 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 384.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 59327604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).