7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine

C24H16F2N4 — CID 46206294

IUPAC7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21
InChIInChI=1S/C24H16F2N4/c25-19-12-16(13-29-14-19)15-3-1-4-18(11-15)24(17-7-9-28-10-8-17)20-5-2-6-21(26)22(20)23(27)30-24/h1-14H,(H2,27,30)
InChIKeyHLWMPHXAKRXVIS-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.43
Rot. Bonds3

About 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine

7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (PubChem CID 46206294) has the molecular formula C24H16F2N4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.

Molecular Properties

Compound Name7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
PubChem CID46206294
Molecular FormulaC24H16F2N4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21
InChIInChI=1S/C24H16F2N4/c25-19-12-16(13-29-14-19)15-3-1-4-18(11-15)24(17-7-9-28-10-8-17)20-5-2-6-21(26)22(20)23(27)30-24/h1-14H,(H2,27,30)
InChIKeyHLWMPHXAKRXVIS-UHFFFAOYSA-N
XLogP4.43
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The IUPAC name of 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (CID 46206294) is 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.
What is the SMILES notation for 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The canonical SMILES for 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is NC1=NC(c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The InChIKey is HLWMPHXAKRXVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4/c25-19-12-16(13-29-14-19)15-3-1-4-18(11-15)24(17-7-9-28-10-8-17)20-5-2-6-21(26)22(20)23(27)30-24/h1-14H,(H2,27,30).
What are the key properties of 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine has a molecular weight of 398.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[3-(5-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is sourced from PubChem (CID 46206294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).