tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate

C28H35N3O4 — CID 66919887

IUPACtert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate
SMILESCC(=O)c1c(C(C)(C)NC(=O)OC(C)(C)C)ccc2nn(C3CCCCO3)c(-c3ccccc3)c12
InChIInChI=1S/C28H35N3O4/c1-18(32)23-20(28(5,6)29-26(33)35-27(2,3)4)15-16-21-24(23)25(19-12-8-7-9-13-19)31(30-21)22-14-10-11-17-34-22/h7-9,12-13,15-16,22H,10-11,14,17H2,1-6H3,(H,29,33)
InChIKeyVUJJQJOKMNMOHC-UHFFFAOYSA-N
MW477.61 g/mol
LogP6.36
Rot. Bonds5

About tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate

tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate (PubChem CID 66919887) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate
PubChem CID66919887
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Nametert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate
SMILESCC(=O)c1c(C(C)(C)NC(=O)OC(C)(C)C)ccc2nn(C3CCCCO3)c(-c3ccccc3)c12
InChIInChI=1S/C28H35N3O4/c1-18(32)23-20(28(5,6)29-26(33)35-27(2,3)4)15-16-21-24(23)25(19-12-8-7-9-13-19)31(30-21)22-14-10-11-17-34-22/h7-9,12-13,15-16,22H,10-11,14,17H2,1-6H3,(H,29,33)
InChIKeyVUJJQJOKMNMOHC-UHFFFAOYSA-N
XLogP6.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate 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

tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-pyridin-2-ylindazol-5-yl]phenyl]propan-2-yl]carbamate
CID 23134465
tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
CID 101095799
3-methyl-1-(oxan-2-yl)-5-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 169231053
tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
CID 171597592
tert-butyl (2S)-2-[4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]piperidine-1-carboxylate
CID 167033721
1-[1-(oxan-2-yl)benzimidazol-2-yl]ethanone
CID 22478048
tert-butyl N-[3-[6-(3-chloro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxycyclobutyl]carbamate
CID 162752504
tert-butyl N-[2-[4-[1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]ethyl]carbamate
CID 175353524
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
tert-butyl N-[3-[(2S)-2-benzoylpyrrolidin-1-yl]-3-oxopropyl]carbamate
CID 126819441
5-bromo-1-(oxan-2-yl)-3-phenylpyrazole
CID 142770509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate (CID 66919887) is tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate is CC(=O)c1c(C(C)(C)NC(=O)OC(C)(C)C)ccc2nn(C3CCCCO3)c(-c3ccccc3)c12.
What is the InChIKey of tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate?
The InChIKey is VUJJQJOKMNMOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-18(32)23-20(28(5,6)29-26(33)35-27(2,3)4)15-16-21-24(23)25(19-12-8-7-9-13-19)31(30-21)22-14-10-11-17-34-22/h7-9,12-13,15-16,22H,10-11,14,17H2,1-6H3,(H,29,33).
What are the key properties of tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate has a molecular weight of 477.61 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-acetyl-2-(oxan-2-yl)-3-phenylindazol-5-yl]propan-2-yl]carbamate is sourced from PubChem (CID 66919887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).