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

C25H31N5O4 — CID 91908133

IUPAC1-(3-methylindazol-1-yl)-5-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentane-1,5-dione
SMILESCc1nn(C(=O)CCCC(=O)N2CCC(c3nc(C4CCOCC4)no3)CC2)c2ccccc12
InChIInChI=1S/C25H31N5O4/c1-17-20-5-2-3-6-21(20)30(27-17)23(32)8-4-7-22(31)29-13-9-19(10-14-29)25-26-24(28-34-25)18-11-15-33-16-12-18/h2-3,5-6,18-19H,4,7-16H2,1H3
InChIKeyMTIKVGBKKLVJQY-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.84
Rot. Bonds6

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

1-(3-methylindazol-1-yl)-5-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentane-1,5-dione (PubChem CID 91908133) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(3-methylindazol-1-yl)-5-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]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]piperidin-1-yl]pentane-1,5-dione
PubChem CID91908133
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name1-(3-methylindazol-1-yl)-5-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentane-1,5-dione
SMILESCc1nn(C(=O)CCCC(=O)N2CCC(c3nc(C4CCOCC4)no3)CC2)c2ccccc12
InChIInChI=1S/C25H31N5O4/c1-17-20-5-2-3-6-21(20)30(27-17)23(32)8-4-7-22(31)29-13-9-19(10-14-29)25-26-24(28-34-25)18-11-15-33-16-12-18/h2-3,5-6,18-19H,4,7-16H2,1H3
InChIKeyMTIKVGBKKLVJQY-UHFFFAOYSA-N
XLogP3.84
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.84
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]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]piperidin-1-yl]pentane-1,5-dione (CID 91908133) is 1-(3-methylindazol-1-yl)-5-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]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]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]piperidin-1-yl]pentane-1,5-dione is Cc1nn(C(=O)CCCC(=O)N2CCC(c3nc(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]piperidin-1-yl]pentane-1,5-dione?
The InChIKey is MTIKVGBKKLVJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-17-20-5-2-3-6-21(20)30(27-17)23(32)8-4-7-22(31)29-13-9-19(10-14-29)25-26-24(28-34-25)18-11-15-33-16-12-18/h2-3,5-6,18-19H,4,7-16H2,1H3.
What are the key properties of 1-(3-methylindazol-1-yl)-5-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentane-1,5-dione?
1-(3-methylindazol-1-yl)-5-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentane-1,5-dione has a molecular weight of 465.55 g/mol, XLogP of 3.84, 6 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]piperidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 91908133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).