formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide

C18H21F3N4O4 — CID 11546109

IUPACformic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(OC(F)(F)F)cc13)C2.O=CO
InChIInChI=1S/C17H19F3N4O2.CH2O2/c1-24-10-2-3-11(24)7-9(6-10)21-16(25)15-13-8-12(26-17(18,19)20)4-5-14(13)22-23-15;2-1-3/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeyLVNJGPSPQXAYTK-UHFFFAOYSA-N
MW414.38 g/mol
LogP2.52
Rot. Bonds3

About formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide

formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide (PubChem CID 11546109) has the molecular formula C18H21F3N4O4 and a molecular weight of 414.38 g/mol. Its IUPAC name is formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide
PubChem CID11546109
Molecular FormulaC18H21F3N4O4
Molecular Weight414.38 g/mol
Exact Mass414.15
IUPAC Nameformic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(OC(F)(F)F)cc13)C2.O=CO
InChIInChI=1S/C17H19F3N4O2.CH2O2/c1-24-10-2-3-11(24)7-9(6-10)21-16(25)15-13-8-12(26-17(18,19)20)4-5-14(13)22-23-15;2-1-3/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeyLVNJGPSPQXAYTK-UHFFFAOYSA-N
XLogP2.52
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
The IUPAC name of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide (CID 11546109) is formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide.
What is the SMILES notation for formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
The canonical SMILES for formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(OC(F)(F)F)cc13)C2.O=CO.
What is the InChIKey of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
The InChIKey is LVNJGPSPQXAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2.CH2O2/c1-24-10-2-3-11(24)7-9(6-10)21-16(25)15-13-8-12(26-17(18,19)20)4-5-14(13)22-23-15;2-1-3/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3).
What are the key properties of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide?
formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide has a molecular weight of 414.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethoxy)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11546109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).