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

C24H17FN4 — CID 24875232

IUPAC3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cccnc3F)c2)c2ccccc21
InChIInChI=1S/C24H17FN4/c25-22-19(8-4-12-28-22)16-5-3-6-18(15-16)24(17-10-13-27-14-11-17)21-9-2-1-7-20(21)23(26)29-24/h1-15H,(H2,26,29)
InChIKeyMEUBNSSSDZHPMJ-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.29
Rot. Bonds3

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

3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (PubChem CID 24875232) has the molecular formula C24H17FN4 and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.

Molecular Properties

Compound Name3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
PubChem CID24875232
Molecular FormulaC24H17FN4
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cccnc3F)c2)c2ccccc21
InChIInChI=1S/C24H17FN4/c25-22-19(8-4-12-28-22)16-5-3-6-18(15-16)24(17-10-13-27-14-11-17)21-9-2-1-7-20(21)23(26)29-24/h1-15H,(H2,26,29)
InChIKeyMEUBNSSSDZHPMJ-UHFFFAOYSA-N
XLogP4.29
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.29
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-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The IUPAC name of 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (CID 24875232) is 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.
What is the SMILES notation for 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The canonical SMILES for 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is NC1=NC(c2ccncc2)(c2cccc(-c3cccnc3F)c2)c2ccccc21.
What is the InChIKey of 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The InChIKey is MEUBNSSSDZHPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4/c25-22-19(8-4-12-28-22)16-5-3-6-18(15-16)24(17-10-13-27-14-11-17)21-9-2-1-7-20(21)23(26)29-24/h1-15H,(H2,26,29).
What are the key properties of 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine has a molecular weight of 380.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is sourced from PubChem (CID 24875232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).