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

C20H14BrF3N4O — CID 59327529

IUPAC5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2cccc(Br)c2)(c2ccnc(OCC(F)(F)F)c2)c2cccnc21
InChIInChI=1S/C20H14BrF3N4O/c21-14-4-1-3-12(9-14)20(15-5-2-7-27-17(15)18(25)28-20)13-6-8-26-16(10-13)29-11-19(22,23)24/h1-10H,11H2,(H2,25,28)
InChIKeyLYTQUGBTEPIMMQ-UHFFFAOYSA-N
MW463.26 g/mol
LogP4.19
Rot. Bonds4

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

5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 59327529) has the molecular formula C20H14BrF3N4O and a molecular weight of 463.26 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
PubChem CID59327529
Molecular FormulaC20H14BrF3N4O
Molecular Weight463.26 g/mol
Exact Mass462.03
IUPAC Name5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2cccc(Br)c2)(c2ccnc(OCC(F)(F)F)c2)c2cccnc21
InChIInChI=1S/C20H14BrF3N4O/c21-14-4-1-3-12(9-14)20(15-5-2-7-27-17(15)18(25)28-20)13-6-8-26-16(10-13)29-11-19(22,23)24/h1-10H,11H2,(H2,25,28)
InChIKeyLYTQUGBTEPIMMQ-UHFFFAOYSA-N
XLogP4.19
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
5-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327536
5-(3-methoxyphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 59327604
5-[3-(3-fluoropropoxy)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine
CID 46207385
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
3-(3-bromophenyl)-3-(2-propan-2-yl-4-pyridinyl)isoindol-1-amine
CID 59596314
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203377
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 67273059
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
CID 59596275
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine (CID 59327529) is 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine is NC1=NC(c2cccc(Br)c2)(c2ccnc(OCC(F)(F)F)c2)c2cccnc21.
What is the InChIKey of 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is LYTQUGBTEPIMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3N4O/c21-14-4-1-3-12(9-14)20(15-5-2-7-27-17(15)18(25)28-20)13-6-8-26-16(10-13)29-11-19(22,23)24/h1-10H,11H2,(H2,25,28).
What are the key properties of 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine?
5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 463.26 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 59327529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).