(6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

C21H20FN5O2 — CID 69323273

IUPAC(6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)nc1)N1CCCC(N2C=C(c3cc4ccccc4[nH]3)ON2)C1
InChIInChI=1S/C21H20FN5O2/c22-20-8-7-15(11-23-20)21(28)26-9-3-5-16(12-26)27-13-19(29-25-27)18-10-14-4-1-2-6-17(14)24-18/h1-2,4,6-8,10-11,13,16,24-25H,3,5,9,12H2
InChIKeyJFJIFONKXJPVNW-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.06
Rot. Bonds3

About (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

(6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 69323273) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID69323273
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name(6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)nc1)N1CCCC(N2C=C(c3cc4ccccc4[nH]3)ON2)C1
InChIInChI=1S/C21H20FN5O2/c22-20-8-7-15(11-23-20)21(28)26-9-3-5-16(12-26)27-13-19(29-25-27)18-10-14-4-1-2-6-17(14)24-18/h1-2,4,6-8,10-11,13,16,24-25H,3,5,9,12H2
InChIKeyJFJIFONKXJPVNW-UHFFFAOYSA-N
XLogP3.06
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[(2Z)-2-(pyridin-2-ylmethoxyimino)propyl]piperazin-1-yl]methanone
CID 44407917
3-[1-(4-Fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole-2-carbonyl]pyridine
CID 50805980
N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 126464435
(2-fluoro-4-pyridinyl)-[3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69318010
(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69318461
(2,4-difluorophenyl)-[3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69323308
(4-fluorophenyl)-[(3S)-3-[5-(1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69323958
(4-fluorophenyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69324059
(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69324261
(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69324676
(6-fluoro-3-pyridinyl)-[3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 77639755
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[(2E)-2-(pyridin-2-ylmethoxyimino)propyl]piperazin-1-yl]methanone
CID 88054753

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 69323273) is (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)nc1)N1CCCC(N2C=C(c3cc4ccccc4[nH]3)ON2)C1.
What is the InChIKey of (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is JFJIFONKXJPVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-20-8-7-15(11-23-20)21(28)26-9-3-5-16(12-26)27-13-19(29-25-27)18-10-14-4-1-2-6-17(14)24-18/h1-2,4,6-8,10-11,13,16,24-25H,3,5,9,12H2.
What are the key properties of (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
(6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 393.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69323273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).