(3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C23H23FN6O2 — CID 134477529

IUPAC(3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ncccc5F)CC4)no3)cc21
InChIInChI=1S/C23H23FN6O2/c1-14(2)30-19-12-16(5-6-17(19)13-26-30)22-27-21(28-32-22)15-7-10-29(11-8-15)23(31)20-18(24)4-3-9-25-20/h3-6,9,12-15H,7-8,10-11H2,1-2H3
InChIKeyHCDONKOJXNTPRC-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.22
Rot. Bonds4

About (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 134477529) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID134477529
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name(3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ncccc5F)CC4)no3)cc21
InChIInChI=1S/C23H23FN6O2/c1-14(2)30-19-12-16(5-6-17(19)13-26-30)22-27-21(28-32-22)15-7-10-29(11-8-15)23(31)20-18(24)4-3-9-25-20/h3-6,9,12-15H,7-8,10-11H2,1-2H3
InChIKeyHCDONKOJXNTPRC-UHFFFAOYSA-N
XLogP4.22
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 134477529) is (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is CC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ncccc5F)CC4)no3)cc21.
What is the InChIKey of (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is HCDONKOJXNTPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14(2)30-19-12-16(5-6-17(19)13-26-30)22-27-21(28-32-22)15-7-10-29(11-8-15)23(31)20-18(24)4-3-9-25-20/h3-6,9,12-15H,7-8,10-11H2,1-2H3.
What are the key properties of (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 434.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyridinyl)-[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134477529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).