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

C17H17F2N5O2 — CID 69324261

IUPAC(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1
InChIInChI=1S/C17H17F2N5O2/c18-11-6-15(21-7-11)16-10-24(22-26-16)12-2-1-5-23(9-12)17(25)13-3-4-20-8-14(13)19/h3-4,6-8,10,12,21-22H,1-2,5,9H2/t12-/m0/s1
InChIKeyIRBUZFMNPJQAMP-LBPRGKRZSA-N
MW361.35 g/mol
LogP2.04
Rot. Bonds3

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

(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 69324261) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID69324261
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1
InChIInChI=1S/C17H17F2N5O2/c18-11-6-15(21-7-11)16-10-24(22-26-16)12-2-1-5-23(9-12)17(25)13-3-4-20-8-14(13)19/h3-4,6-8,10,12,21-22H,1-2,5,9H2/t12-/m0/s1
InChIKeyIRBUZFMNPJQAMP-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 69324261) is (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccncc1F)N1CCC[C@H](N2C=C(c3cc(F)c[nH]3)ON2)C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is IRBUZFMNPJQAMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c18-11-6-15(21-7-11)16-10-24(22-26-16)12-2-1-5-23(9-12)17(25)13-3-4-20-8-14(13)19/h3-4,6-8,10,12,21-22H,1-2,5,9H2/t12-/m0/s1.
What are the key properties of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
(3-fluoro-4-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 (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(4-fluoro-1H-pyrrol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69324261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).