7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine

C25H17F3N4 — CID 46205640

IUPAC7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine
SMILESCc1cc(C2(c3cc(-c4cncc(F)c4)ccc3F)N=C(N)c3c(F)cccc32)ccn1
InChIInChI=1S/C25H17F3N4/c1-14-9-17(7-8-31-14)25(19-3-2-4-22(28)23(19)24(29)32-25)20-11-15(5-6-21(20)27)16-10-18(26)13-30-12-16/h2-13H,1H3,(H2,29,32)
InChIKeyUIZDKBAPUDYRSG-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.88
Rot. Bonds3

About 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine

7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine (PubChem CID 46205640) has the molecular formula C25H17F3N4 and a molecular weight of 430.43 g/mol. Its IUPAC name is 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine.

Molecular Properties

Compound Name7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine
PubChem CID46205640
Molecular FormulaC25H17F3N4
Molecular Weight430.43 g/mol
Exact Mass430.14
IUPAC Name7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine
SMILESCc1cc(C2(c3cc(-c4cncc(F)c4)ccc3F)N=C(N)c3c(F)cccc32)ccn1
InChIInChI=1S/C25H17F3N4/c1-14-9-17(7-8-31-14)25(19-3-2-4-22(28)23(19)24(29)32-25)20-11-15(5-6-21(20)27)16-10-18(26)13-30-12-16/h2-13H,1H3,(H2,29,32)
InChIKeyUIZDKBAPUDYRSG-UHFFFAOYSA-N
XLogP4.88
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
The IUPAC name of 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine (CID 46205640) is 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine.
What is the SMILES notation for 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
The canonical SMILES for 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine is Cc1cc(C2(c3cc(-c4cncc(F)c4)ccc3F)N=C(N)c3c(F)cccc32)ccn1.
What is the InChIKey of 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
The InChIKey is UIZDKBAPUDYRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4/c1-14-9-17(7-8-31-14)25(19-3-2-4-22(28)23(19)24(29)32-25)20-11-15(5-6-21(20)27)16-10-18(26)13-30-12-16/h2-13H,1H3,(H2,29,32).
What are the key properties of 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine?
7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine has a molecular weight of 430.43 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-(2-methyl-4-pyridinyl)isoindol-1-amine is sourced from PubChem (CID 46205640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).