tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate

C20H30N2O2 — CID 146613217

IUPACtert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate
SMILESCC(C)c1cc2c(cnn2C)c(C(C)C)c1CC(=O)OC(C)(C)C
InChIInChI=1S/C20H30N2O2/c1-12(2)14-9-17-16(11-21-22(17)8)19(13(3)4)15(14)10-18(23)24-20(5,6)7/h9,11-13H,10H2,1-8H3
InChIKeyVIINTABPRBMPTI-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.70
Rot. Bonds4

About tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate

tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate (PubChem CID 146613217) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate
PubChem CID146613217
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate
SMILESCC(C)c1cc2c(cnn2C)c(C(C)C)c1CC(=O)OC(C)(C)C
InChIInChI=1S/C20H30N2O2/c1-12(2)14-9-17-16(11-21-22(17)8)19(13(3)4)15(14)10-18(23)24-20(5,6)7/h9,11-13H,10H2,1-8H3
InChIKeyVIINTABPRBMPTI-UHFFFAOYSA-N
XLogP4.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate 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 tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate?
The IUPAC name of tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate (CID 146613217) is tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate.
What is the SMILES notation for tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate?
The canonical SMILES for tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate is CC(C)c1cc2c(cnn2C)c(C(C)C)c1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate?
The InChIKey is VIINTABPRBMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-12(2)14-9-17-16(11-21-22(17)8)19(13(3)4)15(14)10-18(23)24-20(5,6)7/h9,11-13H,10H2,1-8H3.
What are the key properties of tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate?
tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate has a molecular weight of 330.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-methyl-4,6-di(propan-2-yl)indazol-5-yl]acetate is sourced from PubChem (CID 146613217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).