5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

C23H22FN5O — CID 133318709

IUPAC5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccnc(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2)n1
InChIInChI=1S/C23H22FN5O/c1-14(2)22-27-23(30-28-22)16-5-8-25-21(11-16)29-9-6-15(7-10-29)19-13-26-20-12-17(24)3-4-18(19)20/h3-6,8,11-14,26H,7,9-10H2,1-2H3
InChIKeyXJLGZCUJXFBJKZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.17
Rot. Bonds4

About 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 133318709) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID133318709
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccnc(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2)n1
InChIInChI=1S/C23H22FN5O/c1-14(2)22-27-23(30-28-22)16-5-8-25-21(11-16)29-9-6-15(7-10-29)19-13-26-20-12-17(24)3-4-18(19)20/h3-6,8,11-14,26H,7,9-10H2,1-2H3
InChIKeyXJLGZCUJXFBJKZ-UHFFFAOYSA-N
XLogP5.17
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 133318709) is 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(-c2ccnc(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2)n1.
What is the InChIKey of 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is XJLGZCUJXFBJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-14(2)22-27-23(30-28-22)16-5-8-25-21(11-16)29-9-6-15(7-10-29)19-13-26-20-12-17(24)3-4-18(19)20/h3-6,8,11-14,26H,7,9-10H2,1-2H3.
What are the key properties of 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 403.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 133318709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).