methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate

C18H14F3N3O4 — CID 135345772

IUPACmethyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)nn(C)c2c1
InChIInChI=1S/C18H14F3N3O4/c1-24-14-9-11(17(26)27-2)5-8-13(14)15(23-24)22-16(25)10-3-6-12(7-4-10)28-18(19,20)21/h3-9H,1-2H3,(H,22,23,25)
InChIKeyUXOFSSGIVIPBGD-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.51
Rot. Bonds4

About methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate

methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate (PubChem CID 135345772) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate
PubChem CID135345772
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Namemethyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)nn(C)c2c1
InChIInChI=1S/C18H14F3N3O4/c1-24-14-9-11(17(26)27-2)5-8-13(14)15(23-24)22-16(25)10-3-6-12(7-4-10)28-18(19,20)21/h3-9H,1-2H3,(H,22,23,25)
InChIKeyUXOFSSGIVIPBGD-UHFFFAOYSA-N
XLogP3.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate?
The IUPAC name of methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate (CID 135345772) is methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate?
The canonical SMILES for methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate is COC(=O)c1ccc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)nn(C)c2c1.
What is the InChIKey of methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate?
The InChIKey is UXOFSSGIVIPBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4/c1-24-14-9-11(17(26)27-2)5-8-13(14)15(23-24)22-16(25)10-3-6-12(7-4-10)28-18(19,20)21/h3-9H,1-2H3,(H,22,23,25).
What are the key properties of methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate?
methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate has a molecular weight of 393.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate is sourced from PubChem (CID 135345772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).