ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate

C18H17N3O5 — CID 69190584

IUPACethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(NC(=O)Oc3ccccc3)cc(OC)cc21
InChIInChI=1S/C18H17N3O5/c1-3-25-18(23)21-16-10-13(24-2)9-15(14(16)11-19-21)20-17(22)26-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyGHLPVKNNFFFUDM-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.66
Rot. Bonds4

About ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate

ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate (PubChem CID 69190584) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate
PubChem CID69190584
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Nameethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(NC(=O)Oc3ccccc3)cc(OC)cc21
InChIInChI=1S/C18H17N3O5/c1-3-25-18(23)21-16-10-13(24-2)9-15(14(16)11-19-21)20-17(22)26-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyGHLPVKNNFFFUDM-UHFFFAOYSA-N
XLogP3.66
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl N-(2-ethoxy-5-ethyl-6-methyl-3-pyridinyl)carbamate
CID 18663163
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
phenyl N-[3-(2-amino-2-oxoethyl)-5-tert-butyl-2-methoxyphenyl]carbamate
CID 140750465
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
ethyl N-(2-anilino-4-methoxyphenyl)carbamate
CID 12930176
(4-methoxyphenyl) N-(2-amino-5-phenylphenyl)carbamate
CID 68785591
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
phenyl N-(2,6-dimethylquinolin-3-yl)carbamate
CID 155691129
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
CID 67824669

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate (CID 69190584) is ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate is CCOC(=O)n1ncc2c(NC(=O)Oc3ccccc3)cc(OC)cc21.
What is the InChIKey of ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate?
The InChIKey is GHLPVKNNFFFUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-3-25-18(23)21-16-10-13(24-2)9-15(14(16)11-19-21)20-17(22)26-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate?
ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-(phenoxycarbonylamino)indazole-1-carboxylate is sourced from PubChem (CID 69190584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).