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

C25H31N5O4 — CID 91908142

IUPAC1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione
SMILESCc1nn(C(=O)CCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c2ccccc12
InChIInChI=1S/C25H31N5O4/c1-17-20-4-2-3-5-21(20)30(27-17)24(32)7-6-23(31)29-12-8-18(9-13-29)16-22-26-25(28-34-22)19-10-14-33-15-11-19/h2-5,18-19H,6-16H2,1H3
InChIKeyGYMOODWKXCNCBV-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.52
Rot. Bonds6

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

1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione (PubChem CID 91908142) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione
PubChem CID91908142
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione
SMILESCc1nn(C(=O)CCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c2ccccc12
InChIInChI=1S/C25H31N5O4/c1-17-20-4-2-3-5-21(20)30(27-17)24(32)7-6-23(31)29-12-8-18(9-13-29)16-22-26-25(28-34-22)19-10-14-33-15-11-19/h2-5,18-19H,6-16H2,1H3
InChIKeyGYMOODWKXCNCBV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione (CID 91908142) is 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione is Cc1nn(C(=O)CCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c2ccccc12.
What is the InChIKey of 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione?
The InChIKey is GYMOODWKXCNCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-17-20-4-2-3-5-21(20)30(27-17)24(32)7-6-23(31)29-12-8-18(9-13-29)16-22-26-25(28-34-22)19-10-14-33-15-11-19/h2-5,18-19H,6-16H2,1H3.
What are the key properties of 1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione?
1-(3-methylindazol-1-yl)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione has a molecular weight of 465.55 g/mol, XLogP of 3.52, 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)-4-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 91908142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).