4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C20H28N6O3 — CID 23819407

IUPAC4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2nnc3cc(C)nn3c2C)CC1
InChIInChI=1S/C20H28N6O3/c1-4-5-6-16-12-29-20(28)25(16)15-7-9-24(10-8-15)19(27)18-14(3)26-17(21-22-18)11-13(2)23-26/h11,15-16H,4-10,12H2,1-3H3
InChIKeyIVHSDUQIFJKHMK-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.36
Rot. Bonds5

About 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 23819407) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID23819407
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2nnc3cc(C)nn3c2C)CC1
InChIInChI=1S/C20H28N6O3/c1-4-5-6-16-12-29-20(28)25(16)15-7-9-24(10-8-15)19(27)18-14(3)26-17(21-22-18)11-13(2)23-26/h11,15-16H,4-10,12H2,1-3H3
InChIKeyIVHSDUQIFJKHMK-UHFFFAOYSA-N
XLogP2.36
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one 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 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 23819407) is 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCCCC1COC(=O)N1C1CCN(C(=O)c2nnc3cc(C)nn3c2C)CC1.
What is the InChIKey of 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is IVHSDUQIFJKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-4-5-6-16-12-29-20(28)25(16)15-7-9-24(10-8-15)19(27)18-14(3)26-17(21-22-18)11-13(2)23-26/h11,15-16H,4-10,12H2,1-3H3.
What are the key properties of 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 400.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23819407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).