3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine

C24H16F2N4 — CID 24874738

IUPAC3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2ccc(F)c(-c3cccnc3F)c2)c2ccccc21
InChIInChI=1S/C24H16F2N4/c25-21-8-7-16(14-19(21)17-5-3-11-29-22(17)26)24(15-9-12-28-13-10-15)20-6-2-1-4-18(20)23(27)30-24/h1-14H,(H2,27,30)
InChIKeyZUAXXROTZBSKHM-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.43
Rot. Bonds3

About 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine

3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (PubChem CID 24874738) has the molecular formula C24H16F2N4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.

Molecular Properties

Compound Name3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
PubChem CID24874738
Molecular FormulaC24H16F2N4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2ccc(F)c(-c3cccnc3F)c2)c2ccccc21
InChIInChI=1S/C24H16F2N4/c25-21-8-7-16(14-19(21)17-5-3-11-29-22(17)26)24(15-9-12-28-13-10-15)20-6-2-1-4-18(20)23(27)30-24/h1-14H,(H2,27,30)
InChIKeyZUAXXROTZBSKHM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The IUPAC name of 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (CID 24874738) is 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.
What is the SMILES notation for 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The canonical SMILES for 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is NC1=NC(c2ccncc2)(c2ccc(F)c(-c3cccnc3F)c2)c2ccccc21.
What is the InChIKey of 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The InChIKey is ZUAXXROTZBSKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4/c25-21-8-7-16(14-19(21)17-5-3-11-29-22(17)26)24(15-9-12-28-13-10-15)20-6-2-1-4-18(20)23(27)30-24/h1-14H,(H2,27,30).
What are the key properties of 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
3-[4-fluoro-3-(2-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 3-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is sourced from PubChem (CID 24874738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).