ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate

C19H27N3O5 — CID 118182503

IUPACethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate
SMILESCCOC(=O)Cn1cc2cc(NC(=O)OC(C)(C)C)c(OC(C)C)cc2n1
InChIInChI=1S/C19H27N3O5/c1-7-25-17(23)11-22-10-13-8-15(20-18(24)27-19(4,5)6)16(26-12(2)3)9-14(13)21-22/h8-10,12H,7,11H2,1-6H3,(H,20,24)
InChIKeyFSBLEOIOACLUPY-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.73
Rot. Bonds6

About ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate

ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate (PubChem CID 118182503) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate
PubChem CID118182503
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nameethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate
SMILESCCOC(=O)Cn1cc2cc(NC(=O)OC(C)(C)C)c(OC(C)C)cc2n1
InChIInChI=1S/C19H27N3O5/c1-7-25-17(23)11-22-10-13-8-15(20-18(24)27-19(4,5)6)16(26-12(2)3)9-14(13)21-22/h8-10,12H,7,11H2,1-6H3,(H,20,24)
InChIKeyFSBLEOIOACLUPY-UHFFFAOYSA-N
XLogP3.73
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
CID 118182502
2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid
CID 118172850
tert-butyl N-[6-fluoro-2-(2-iodoethyl)indazol-5-yl]carbamate
CID 164567715
6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide
CID 134422827
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
CID 156537612
ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 169148889
ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate
CID 155752034
ethyl 2-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetate
CID 97299942
ethyl 2-[2-cyano-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 123702114
6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
CID 129283899
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate (CID 118182503) is ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate is CCOC(=O)Cn1cc2cc(NC(=O)OC(C)(C)C)c(OC(C)C)cc2n1.
What is the InChIKey of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate?
The InChIKey is FSBLEOIOACLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-7-25-17(23)11-22-10-13-8-15(20-18(24)27-19(4,5)6)16(26-12(2)3)9-14(13)21-22/h8-10,12H,7,11H2,1-6H3,(H,20,24).
What are the key properties of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate?
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate has a molecular weight of 377.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate is sourced from PubChem (CID 118182503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).