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

C22H23N7O2 — CID 134477532

IUPAC[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ncccn5)CC4)no3)cc21
InChIInChI=1S/C22H23N7O2/c1-14(2)29-18-12-16(4-5-17(18)13-25-29)21-26-19(27-31-21)15-6-10-28(11-7-15)22(30)20-23-8-3-9-24-20/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3
InChIKeyIYNYZQGZRZWSIU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.48
Rot. Bonds4

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

[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 134477532) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID134477532
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ncccn5)CC4)no3)cc21
InChIInChI=1S/C22H23N7O2/c1-14(2)29-18-12-16(4-5-17(18)13-25-29)21-26-19(27-31-21)15-6-10-28(11-7-15)22(30)20-23-8-3-9-24-20/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3
InChIKeyIYNYZQGZRZWSIU-UHFFFAOYSA-N
XLogP3.48
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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]-pyrimidin-2-ylmethanone?
The IUPAC name of [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone (CID 134477532) is [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-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]-pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone is CC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ncccn5)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]-pyrimidin-2-ylmethanone?
The InChIKey is IYNYZQGZRZWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-14(2)29-18-12-16(4-5-17(18)13-25-29)21-26-19(27-31-21)15-6-10-28(11-7-15)22(30)20-23-8-3-9-24-20/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3.
What are the key properties of [4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
[4-[5-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 417.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 134477532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).