[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate

C23H26ClN3O4 — CID 174693925

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate
SMILESCCC(C)(C(=O)On1ncc2c(NC(=O)OC(C)(C)C)cccc21)c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O4/c1-6-23(5,15-10-12-16(24)13-11-15)20(28)31-27-19-9-7-8-18(17(19)14-25-27)26-21(29)30-22(2,3)4/h7-14H,6H2,1-5H3,(H,26,29)
InChIKeyZEMWHTNMCFYRDN-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.36
Rot. Bonds5

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate

[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate (PubChem CID 174693925) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate
PubChem CID174693925
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate
SMILESCCC(C)(C(=O)On1ncc2c(NC(=O)OC(C)(C)C)cccc21)c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O4/c1-6-23(5,15-10-12-16(24)13-11-15)20(28)31-27-19-9-7-8-18(17(19)14-25-27)26-21(29)30-22(2,3)4/h7-14H,6H2,1-5H3,(H,26,29)
InChIKeyZEMWHTNMCFYRDN-UHFFFAOYSA-N
XLogP5.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl]propanoic acid
CID 175299635
tert-butyl N-[1-[2-(4-chlorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl]indazol-4-yl]carbamate
CID 70561960
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]acetate
CID 90031277
tert-butyl N-(1-aminoindol-4-yl)carbamate
CID 58607316
methyl 2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl]-4-(trifluoromethyl)phenyl]butanoate
CID 140624959
tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate
CID 138549954
tert-butyl N-[[1-[(E)-3-(4-chlorophenyl)-1-cyanopent-1-en-3-yl]indazol-4-yl]methyl]carbamate
CID 142767719
N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
CID 70562766
2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
CID 132525792
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
2-(4-chlorophenyl)-2-[6-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]indol-1-yl]butanoic acid
CID 70561100
2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 2757209

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate (CID 174693925) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate is CCC(C)(C(=O)On1ncc2c(NC(=O)OC(C)(C)C)cccc21)c1ccc(Cl)cc1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate?
The InChIKey is ZEMWHTNMCFYRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-6-23(5,15-10-12-16(24)13-11-15)20(28)31-27-19-9-7-8-18(17(19)14-25-27)26-21(29)30-22(2,3)4/h7-14H,6H2,1-5H3,(H,26,29).
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate has a molecular weight of 443.93 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl] 2-(4-chlorophenyl)-2-methylbutanoate is sourced from PubChem (CID 174693925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).