N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C21H25F3N6O2 — CID 53372792

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCOCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C21H25F3N6O2/c1-31-12-11-29-9-7-15(8-10-29)14-25-19-6-5-18-20(26-19)30(28-27-18)16-3-2-4-17(13-16)32-21(22,23)24/h2-6,13,15H,7-12,14H2,1H3,(H,25,26)
InChIKeyWYEJDFQDBKJFHG-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.48
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 53372792) has the molecular formula C21H25F3N6O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID53372792
Molecular FormulaC21H25F3N6O2
Molecular Weight450.47 g/mol
Exact Mass450.20
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCOCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C21H25F3N6O2/c1-31-12-11-29-9-7-15(8-10-29)14-25-19-6-5-18-20(26-19)30(28-27-18)16-3-2-4-17(13-16)32-21(22,23)24/h2-6,13,15H,7-12,14H2,1H3,(H,25,26)
InChIKeyWYEJDFQDBKJFHG-UHFFFAOYSA-N
XLogP3.48
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

Bms-690514
CID 11349170
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
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
N-[[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 46917427
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 46917429
2-[2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxyethanamine
CID 46917845
3-[2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxypropan-1-amine
CID 46917848
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
5-(2,7-Diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
CID 53372544

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 53372792) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is COCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WYEJDFQDBKJFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O2/c1-31-12-11-29-9-7-15(8-10-29)14-25-19-6-5-18-20(26-19)30(28-27-18)16-3-2-4-17(13-16)32-21(22,23)24/h2-6,13,15H,7-12,14H2,1H3,(H,25,26).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 450.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 53372792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).