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

C20H21F3N6 — CID 57398624

IUPACN-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)c1cccc(-n2nnc3ccc(NC4CC5(CCNCC5)C4)nc32)c1
InChIInChI=1S/C20H21F3N6/c21-20(22,23)13-2-1-3-15(10-13)29-18-16(27-28-29)4-5-17(26-18)25-14-11-19(12-14)6-8-24-9-7-19/h1-5,10,14,24H,6-9,11-12H2,(H,25,26)
InChIKeyUWWMNBSTTVYINO-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.78
Rot. Bonds3

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

N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57398624) has the molecular formula C20H21F3N6 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57398624
Molecular FormulaC20H21F3N6
Molecular Weight402.42 g/mol
Exact Mass402.18
IUPAC NameN-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)c1cccc(-n2nnc3ccc(NC4CC5(CCNCC5)C4)nc32)c1
InChIInChI=1S/C20H21F3N6/c21-20(22,23)13-2-1-3-15(10-13)29-18-16(27-28-29)4-5-17(26-18)25-14-11-19(12-14)6-8-24-9-7-19/h1-5,10,14,24H,6-9,11-12H2,(H,25,26)
InChIKeyUWWMNBSTTVYINO-UHFFFAOYSA-N
XLogP3.78
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.78
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-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 57398624) is N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)c1cccc(-n2nnc3ccc(NC4CC5(CCNCC5)C4)nc32)c1.
What is the InChIKey of N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UWWMNBSTTVYINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6/c21-20(22,23)13-2-1-3-15(10-13)29-18-16(27-28-29)4-5-17(26-18)25-14-11-19(12-14)6-8-24-9-7-19/h1-5,10,14,24H,6-9,11-12H2,(H,25,26).
What are the key properties of N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 402.42 g/mol, XLogP of 3.78, 3 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-yl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57398624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).