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

C26H33N5O4 — CID 91908143

IUPAC1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione
SMILESCc1nn(C(=O)CCCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c2ccccc12
InChIInChI=1S/C26H33N5O4/c1-18-21-5-2-3-6-22(21)31(28-18)25(33)8-4-7-24(32)30-13-9-19(10-14-30)17-23-27-26(29-35-23)20-11-15-34-16-12-20/h2-3,5-6,19-20H,4,7-17H2,1H3
InChIKeyRMHZNTRICQAASW-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.91
Rot. Bonds7

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

1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione (PubChem CID 91908143) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione
PubChem CID91908143
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione
SMILESCc1nn(C(=O)CCCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c2ccccc12
InChIInChI=1S/C26H33N5O4/c1-18-21-5-2-3-6-22(21)31(28-18)25(33)8-4-7-24(32)30-13-9-19(10-14-30)17-23-27-26(29-35-23)20-11-15-34-16-12-20/h2-3,5-6,19-20H,4,7-17H2,1H3
InChIKeyRMHZNTRICQAASW-UHFFFAOYSA-N
XLogP3.91
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.91
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)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione?
The IUPAC name of 1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione (CID 91908143) is 1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione.
What is the SMILES notation for 1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione?
The canonical SMILES for 1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione is Cc1nn(C(=O)CCCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c2ccccc12.
What is the InChIKey of 1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione?
The InChIKey is RMHZNTRICQAASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-18-21-5-2-3-6-22(21)31(28-18)25(33)8-4-7-24(32)30-13-9-19(10-14-30)17-23-27-26(29-35-23)20-11-15-34-16-12-20/h2-3,5-6,19-20H,4,7-17H2,1H3.
What are the key properties of 1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione?
1-(3-methylindazol-1-yl)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione has a molecular weight of 479.58 g/mol, XLogP of 3.91, 7 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)-5-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 91908143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).