(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

C17H17F2N5O2 — CID 69318461

IUPAC(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)nc1)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1
InChIInChI=1S/C17H17F2N5O2/c18-12-6-14(20-8-12)15-10-24(22-26-15)13-2-1-5-23(9-13)17(25)11-3-4-16(19)21-7-11/h3-4,6-8,10,13,20,22H,1-2,5,9H2/t13-/m0/s1
InChIKeyRYKRQICNPMYJCP-ZDUSSCGKSA-N
MW361.35 g/mol
LogP2.04
Rot. Bonds3

About (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 69318461) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID69318461
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)nc1)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1
InChIInChI=1S/C17H17F2N5O2/c18-12-6-14(20-8-12)15-10-24(22-26-15)13-2-1-5-23(9-13)17(25)11-3-4-16(19)21-7-11/h3-4,6-8,10,13,20,22H,1-2,5,9H2/t13-/m0/s1
InChIKeyRYKRQICNPMYJCP-ZDUSSCGKSA-N
XLogP2.04
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 69318461) is (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)nc1)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1.
What is the InChIKey of (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RYKRQICNPMYJCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c18-12-6-14(20-8-12)15-10-24(22-26-15)13-2-1-5-23(9-13)17(25)11-3-4-16(19)21-7-11/h3-4,6-8,10,13,20,22H,1-2,5,9H2/t13-/m0/s1.
What are the key properties of (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 361.35 g/mol, XLogP of 2.04, 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)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69318461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).