2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile

C25H15F3N6 — CID 46204011

IUPAC2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)c4ncccc43)c2)c1
InChIInChI=1S/C25H15F3N6/c26-25(27,28)21-13-18(7-10-32-21)24(19-5-2-8-33-22(19)23(30)34-24)17-4-1-3-16(12-17)20-11-15(14-29)6-9-31-20/h1-13H,(H2,30,34)
InChIKeyDQEIUDMAKKXOHF-UHFFFAOYSA-N
MW456.43 g/mol
LogP4.44
Rot. Bonds3

About 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile

2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile (PubChem CID 46204011) has the molecular formula C25H15F3N6 and a molecular weight of 456.43 g/mol. Its IUPAC name is 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile
PubChem CID46204011
Molecular FormulaC25H15F3N6
Molecular Weight456.43 g/mol
Exact Mass456.13
IUPAC Name2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)c4ncccc43)c2)c1
InChIInChI=1S/C25H15F3N6/c26-25(27,28)21-13-18(7-10-32-21)24(19-5-2-8-33-22(19)23(30)34-24)17-4-1-3-16(12-17)20-11-15(14-29)6-9-31-20/h1-13H,(H2,30,34)
InChIKeyDQEIUDMAKKXOHF-UHFFFAOYSA-N
XLogP4.44
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile 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-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
2-[3-[3-amino-4-fluoro-1-(2-methoxy-4-pyridinyl)isoindol-1-yl]phenyl]pyridine-4-carbonitrile
CID 46202414
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
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
3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
CID 147679261
5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203377
2-[3-[2-amino-1-methyl-5-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-yl]phenyl]pyridine-4-carbonitrile
CID 25118977
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
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile (CID 46204011) is 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)c4ncccc43)c2)c1.
What is the InChIKey of 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile?
The InChIKey is DQEIUDMAKKXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N6/c26-25(27,28)21-13-18(7-10-32-21)24(19-5-2-8-33-22(19)23(30)34-24)17-4-1-3-16(12-17)20-11-15(14-29)6-9-31-20/h1-13H,(H2,30,34).
What are the key properties of 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile?
2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile has a molecular weight of 456.43 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-amino-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-b]pyridin-5-yl]phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 46204011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).