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

C20H22F4N6O — CID 53372791

IUPACN-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H22F4N6O/c21-8-11-29-9-6-14(7-10-29)13-25-18-5-4-17-19(26-18)30(28-27-17)15-2-1-3-16(12-15)31-20(22,23)24/h1-5,12,14H,6-11,13H2,(H,25,26)
InChIKeySTOGNJXNTQBNEP-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.81
Rot. Bonds7

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

N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 53372791) has the molecular formula C20H22F4N6O and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID53372791
Molecular FormulaC20H22F4N6O
Molecular Weight438.43 g/mol
Exact Mass438.18
IUPAC NameN-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H22F4N6O/c21-8-11-29-9-6-14(7-10-29)13-25-18-5-4-17-19(26-18)30(28-27-17)15-2-1-3-16(12-15)31-20(22,23)24/h1-5,12,14H,6-11,13H2,(H,25,26)
InChIKeySTOGNJXNTQBNEP-UHFFFAOYSA-N
XLogP3.81
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 53372791) is N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is FCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is STOGNJXNTQBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N6O/c21-8-11-29-9-6-14(7-10-29)13-25-18-5-4-17-19(26-18)30(28-27-17)15-2-1-3-16(12-15)31-20(22,23)24/h1-5,12,14H,6-11,13H2,(H,25,26).
What are the key properties of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 438.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 53372791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).