5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine

C19H19F3N6O — CID 53372544

IUPAC5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(N4CC5(CCNCC5)C4)nc32)c1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)29-14-3-1-2-13(10-14)28-17-15(25-26-28)4-5-16(24-17)27-11-18(12-27)6-8-23-9-7-18/h1-5,10,23H,6-9,11-12H2
InChIKeyCNEPLHLPLGXISY-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.90
Rot. Bonds3

About 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine

5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine (PubChem CID 53372544) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
PubChem CID53372544
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(N4CC5(CCNCC5)C4)nc32)c1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)29-14-3-1-2-13(10-14)28-17-15(25-26-28)4-5-16(24-17)27-11-18(12-27)6-8-23-9-7-18/h1-5,10,23H,6-9,11-12H2
InChIKeyCNEPLHLPLGXISY-UHFFFAOYSA-N
XLogP2.90
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine with MolForge

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Related Compounds

N-(Piperidin-4-Ylmethyl)-3-[3-(Trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-B]pyridin-5-Amine
CID 53372541
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372416
(1-Methyl-piperidin-4-ylmethyl)-[3-(3-trifluoromethoxy-phenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-yl]-amine
CID 53372540
4-[[3-[3-(Trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-yl]amino]cyclohexan-1-ol
CID 53372543
6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372668
N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372669
N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372670
N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372791
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372792
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391625

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The IUPAC name of 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine (CID 53372544) is 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine is FC(F)(F)Oc1cccc(-n2nnc3ccc(N4CC5(CCNCC5)C4)nc32)c1.
What is the InChIKey of 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
The InChIKey is CNEPLHLPLGXISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c20-19(21,22)29-14-3-1-2-13(10-14)28-17-15(25-26-28)4-5-16(24-17)27-11-18(12-27)6-8-23-9-7-18/h1-5,10,23H,6-9,11-12H2.
What are the key properties of 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine?
5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine has a molecular weight of 404.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine is sourced from PubChem (CID 53372544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).