N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine

C21H23F3N6 — CID 57396858

IUPACN-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)c1cccc(-n2nnc3ccc(NCC4CC5(CCNCC5)C4)nc32)c1
InChIInChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)
InChIKeyXSOGQUXEVBPTQF-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.03
Rot. Bonds4

About N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine

N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57396858) has the molecular formula C21H23F3N6 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57396858
Molecular FormulaC21H23F3N6
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC NameN-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)c1cccc(-n2nnc3ccc(NCC4CC5(CCNCC5)C4)nc32)c1
InChIInChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)
InChIKeyXSOGQUXEVBPTQF-UHFFFAOYSA-N
XLogP4.03
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 57396858) is N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)c1cccc(-n2nnc3ccc(NCC4CC5(CCNCC5)C4)nc32)c1.
What is the InChIKey of N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XSOGQUXEVBPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27).
What are the key properties of N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 416.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57396858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).