[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C23H24N6O2 — CID 134478165

IUPAC[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ccccn5)CC4)no3)cc21
InChIInChI=1S/C23H24N6O2/c1-15(2)29-20-13-17(6-7-18(20)14-25-29)22-26-21(27-31-22)16-8-11-28(12-9-16)23(30)19-5-3-4-10-24-19/h3-7,10,13-16H,8-9,11-12H2,1-2H3
InChIKeyCHRSBMFAYHKKQQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.08
Rot. Bonds4

About [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 134478165) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID134478165
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ccccn5)CC4)no3)cc21
InChIInChI=1S/C23H24N6O2/c1-15(2)29-20-13-17(6-7-18(20)14-25-29)22-26-21(27-31-22)16-8-11-28(12-9-16)23(30)19-5-3-4-10-24-19/h3-7,10,13-16H,8-9,11-12H2,1-2H3
InChIKeyCHRSBMFAYHKKQQ-UHFFFAOYSA-N
XLogP4.08
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 134478165) is [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone is CC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ccccn5)CC4)no3)cc21.
What is the InChIKey of [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is CHRSBMFAYHKKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15(2)29-20-13-17(6-7-18(20)14-25-29)22-26-21(27-31-22)16-8-11-28(12-9-16)23(30)19-5-3-4-10-24-19/h3-7,10,13-16H,8-9,11-12H2,1-2H3.
What are the key properties of [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 416.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 134478165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).