5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile

C26H15F4N5 — CID 46206645

IUPAC5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1
InChIInChI=1S/C26H15F4N5/c27-21-6-2-5-20-23(21)24(32)35-25(20,19-7-8-34-22(11-19)26(28,29)30)18-4-1-3-16(10-18)17-9-15(12-31)13-33-14-17/h1-11,13-14H,(H2,32,35)
InChIKeyLWWIAXXIXLRNGA-UHFFFAOYSA-N
MW473.43 g/mol
LogP5.18
Rot. Bonds3

About 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile

5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 46206645) has the molecular formula C26H15F4N5 and a molecular weight of 473.43 g/mol. Its IUPAC name is 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile
PubChem CID46206645
Molecular FormulaC26H15F4N5
Molecular Weight473.43 g/mol
Exact Mass473.13
IUPAC Name5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1
InChIInChI=1S/C26H15F4N5/c27-21-6-2-5-20-23(21)24(32)35-25(20,19-7-8-34-22(11-19)26(28,29)30)18-4-1-3-16(10-18)17-9-15(12-31)13-33-14-17/h1-11,13-14H,(H2,32,35)
InChIKeyLWWIAXXIXLRNGA-UHFFFAOYSA-N
XLogP5.18
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-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

CID 46202416
CID 46202416
CID 46206292
CID 46206292
CID 44138706
CID 44138706
CID 44139479
CID 44139479
CID 936638
CID 936638
CID 938116
CID 938116
CID 44139234
CID 44139234
CID 9946965
CID 9946965
CID 10450905
CID 10450905
CID 42630820
CID 42630820
CID 44139356
CID 44139356
CID 44139478
CID 44139478

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile (CID 46206645) is 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1.
What is the InChIKey of 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is LWWIAXXIXLRNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F4N5/c27-21-6-2-5-20-23(21)24(32)35-25(20,19-7-8-34-22(11-19)26(28,29)30)18-4-1-3-16(10-18)17-9-15(12-31)13-33-14-17/h1-11,13-14H,(H2,32,35).
What are the key properties of 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile?
5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 473.43 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-amino-4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 46206645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).