6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid

C17H20F2N4O4 — CID 158461276

IUPAC6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid
SMILESCN1CC2CC1CC2NC(=O)c1n[nH]c2cc(OC(F)F)ccc12.O=CO
InChIInChI=1S/C16H18F2N4O2.CH2O2/c1-22-7-8-4-9(22)5-12(8)19-15(23)14-11-3-2-10(24-16(17)18)6-13(11)20-21-14;2-1-3/h2-3,6,8-9,12,16H,4-5,7H2,1H3,(H,19,23)(H,20,21);1H,(H,2,3)
InChIKeyHFEWYHOBZNLPDP-UHFFFAOYSA-N
MW382.37 g/mol
LogP1.69
Rot. Bonds4

About 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid

6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid (PubChem CID 158461276) has the molecular formula C17H20F2N4O4 and a molecular weight of 382.37 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid.

Molecular Properties

Compound Name6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid
PubChem CID158461276
Molecular FormulaC17H20F2N4O4
Molecular Weight382.37 g/mol
Exact Mass382.15
IUPAC Name6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid
SMILESCN1CC2CC1CC2NC(=O)c1n[nH]c2cc(OC(F)F)ccc12.O=CO
InChIInChI=1S/C16H18F2N4O2.CH2O2/c1-22-7-8-4-9(22)5-12(8)19-15(23)14-11-3-2-10(24-16(17)18)6-13(11)20-21-14;2-1-3/h2-3,6,8-9,12,16H,4-5,7H2,1H3,(H,19,23)(H,20,21);1H,(H,2,3)
InChIKeyHFEWYHOBZNLPDP-UHFFFAOYSA-N
XLogP1.69
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 51.69
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 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid?
The IUPAC name of 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid (CID 158461276) is 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid.
What is the SMILES notation for 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid?
The canonical SMILES for 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid is CN1CC2CC1CC2NC(=O)c1n[nH]c2cc(OC(F)F)ccc12.O=CO.
What is the InChIKey of 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid?
The InChIKey is HFEWYHOBZNLPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2.CH2O2/c1-22-7-8-4-9(22)5-12(8)19-15(23)14-11-3-2-10(24-16(17)18)6-13(11)20-21-14;2-1-3/h2-3,6,8-9,12,16H,4-5,7H2,1H3,(H,19,23)(H,20,21);1H,(H,2,3).
What are the key properties of 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid?
6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid has a molecular weight of 382.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid is sourced from PubChem (CID 158461276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).