N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C17H19F3N6 — CID 140696568

IUPACN-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESFC(F)(F)c1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)n[nH]c2c1
InChIInChI=1S/C17H19F3N6/c18-17(19,20)11-1-2-12-13(7-11)24-25-14(12)22-15-21-8-16(23-15)9-26-5-3-10(16)4-6-26/h1-2,7,10H,3-6,8-9H2,(H3,21,22,23,24,25)
InChIKeySAOCDDPJGZMCFY-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.42
Rot. Bonds1

About N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 140696568) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID140696568
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC NameN-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESFC(F)(F)c1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)n[nH]c2c1
InChIInChI=1S/C17H19F3N6/c18-17(19,20)11-1-2-12-13(7-11)24-25-14(12)22-15-21-8-16(23-15)9-26-5-3-10(16)4-6-26/h1-2,7,10H,3-6,8-9H2,(H3,21,22,23,24,25)
InChIKeySAOCDDPJGZMCFY-UHFFFAOYSA-N
XLogP2.42
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 140696568) is N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is FC(F)(F)c1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)n[nH]c2c1.
What is the InChIKey of N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is SAOCDDPJGZMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6/c18-17(19,20)11-1-2-12-13(7-11)24-25-14(12)22-15-21-8-16(23-15)9-26-5-3-10(16)4-6-26/h1-2,7,10H,3-6,8-9H2,(H3,21,22,23,24,25).
What are the key properties of N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 364.38 g/mol, XLogP of 2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-1H-indazol-3-yl]spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 140696568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).