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

C18H20FN5O2 — CID 69324676

IUPAC(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1c[nH]c(C2=CN([C@H]3CCCN(C(=O)c4ccc(F)nc4)C3)NO2)c1
InChIInChI=1S/C18H20FN5O2/c1-12-7-15(20-8-12)16-11-24(22-26-16)14-3-2-6-23(10-14)18(25)13-4-5-17(19)21-9-13/h4-5,7-9,11,14,20,22H,2-3,6,10H2,1H3/t14-/m0/s1
InChIKeyIIYROHARPDCOGX-AWEZNQCLSA-N
MW357.39 g/mol
LogP2.21
Rot. Bonds3

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

(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 69324676) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID69324676
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1c[nH]c(C2=CN([C@H]3CCCN(C(=O)c4ccc(F)nc4)C3)NO2)c1
InChIInChI=1S/C18H20FN5O2/c1-12-7-15(20-8-12)16-11-24(22-26-16)14-3-2-6-23(10-14)18(25)13-4-5-17(19)21-9-13/h4-5,7-9,11,14,20,22H,2-3,6,10H2,1H3/t14-/m0/s1
InChIKeyIIYROHARPDCOGX-AWEZNQCLSA-N
XLogP2.21
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.21
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-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 69324676) is (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-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-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is Cc1c[nH]c(C2=CN([C@H]3CCCN(C(=O)c4ccc(F)nc4)C3)NO2)c1.
What is the InChIKey of (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is IIYROHARPDCOGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-12-7-15(20-8-12)16-11-24(22-26-16)14-3-2-6-23(10-14)18(25)13-4-5-17(19)21-9-13/h4-5,7-9,11,14,20,22H,2-3,6,10H2,1H3/t14-/m0/s1.
What are the key properties of (6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
(6-fluoro-3-pyridinyl)-[(3S)-3-[5-(4-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 357.39 g/mol, XLogP of 2.21, 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-methyl-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69324676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).