1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione

C24H29N5O4 — CID 91908166

IUPAC1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione
SMILESCc1nn(C(=O)CCC(=O)N2CCCC(c3nc(C4CCOCC4)no3)C2)c2ccccc12
InChIInChI=1S/C24H29N5O4/c1-16-19-6-2-3-7-20(19)29(26-16)22(31)9-8-21(30)28-12-4-5-18(15-28)24-25-23(27-33-24)17-10-13-32-14-11-17/h2-3,6-7,17-18H,4-5,8-15H2,1H3
InChIKeySAKZBEKJLCLHQC-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.45
Rot. Bonds5

About 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione

1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione (PubChem CID 91908166) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione
PubChem CID91908166
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione
SMILESCc1nn(C(=O)CCC(=O)N2CCCC(c3nc(C4CCOCC4)no3)C2)c2ccccc12
InChIInChI=1S/C24H29N5O4/c1-16-19-6-2-3-7-20(19)29(26-16)22(31)9-8-21(30)28-12-4-5-18(15-28)24-25-23(27-33-24)17-10-13-32-14-11-17/h2-3,6-7,17-18H,4-5,8-15H2,1H3
InChIKeySAKZBEKJLCLHQC-UHFFFAOYSA-N
XLogP3.45
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione (CID 91908166) is 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione is Cc1nn(C(=O)CCC(=O)N2CCCC(c3nc(C4CCOCC4)no3)C2)c2ccccc12.
What is the InChIKey of 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione?
The InChIKey is SAKZBEKJLCLHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-16-19-6-2-3-7-20(19)29(26-16)22(31)9-8-21(30)28-12-4-5-18(15-28)24-25-23(27-33-24)17-10-13-32-14-11-17/h2-3,6-7,17-18H,4-5,8-15H2,1H3.
What are the key properties of 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione?
1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione has a molecular weight of 451.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylindazol-1-yl)-4-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 91908166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).