tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate

C15H22N4O3 — CID 123462031

IUPACtert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
SMILESCC(COc1cc2[nH]ncc2cc1N)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N4O3/c1-9(18-14(20)22-15(2,3)4)8-21-13-6-12-10(5-11(13)16)7-17-19-12/h5-7,9H,8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyUYOCHIITGBVHKS-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate

tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate (PubChem CID 123462031) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
PubChem CID123462031
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
SMILESCC(COc1cc2[nH]ncc2cc1N)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N4O3/c1-9(18-14(20)22-15(2,3)4)8-21-13-6-12-10(5-11(13)16)7-17-19-12/h5-7,9H,8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyUYOCHIITGBVHKS-UHFFFAOYSA-N
XLogP2.44
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]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-(6-bromo-1H-indazol-5-yl)carbamate
CID 118182563
tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate
CID 178023889
3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 107490922
tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 175410962
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
CID 80999514
tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 163387871
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
(2S)-3-(2-amino-4-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67076752
tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate
CID 140821899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate (CID 123462031) is tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate is CC(COc1cc2[nH]ncc2cc1N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate?
The InChIKey is UYOCHIITGBVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(18-14(20)22-15(2,3)4)8-21-13-6-12-10(5-11(13)16)7-17-19-12/h5-7,9H,8,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate?
tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate has a molecular weight of 306.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate is sourced from PubChem (CID 123462031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).