8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H23F4N7O — CID 129216494

IUPAC8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CC3CCC(C2)C3Nc2nc3c(OCCF)ccc(C(F)(F)F)n3n2)ncn1
InChIInChI=1S/C21H23F4N7O/c1-12-8-17(27-11-26-12)31-9-13-2-3-14(10-31)18(13)28-20-29-19-15(33-7-6-22)4-5-16(21(23,24)25)32(19)30-20/h4-5,8,11,13-14,18H,2-3,6-7,9-10H2,1H3,(H,28,30)
InChIKeyBCZUZIOCTMFWDE-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.52
Rot. Bonds6

About 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129216494) has the molecular formula C21H23F4N7O and a molecular weight of 465.46 g/mol. Its IUPAC name is 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129216494
Molecular FormulaC21H23F4N7O
Molecular Weight465.46 g/mol
Exact Mass465.19
IUPAC Name8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CC3CCC(C2)C3Nc2nc3c(OCCF)ccc(C(F)(F)F)n3n2)ncn1
InChIInChI=1S/C21H23F4N7O/c1-12-8-17(27-11-26-12)31-9-13-2-3-14(10-31)18(13)28-20-29-19-15(33-7-6-22)4-5-16(21(23,24)25)32(19)30-20/h4-5,8,11,13-14,18H,2-3,6-7,9-10H2,1H3,(H,28,30)
InChIKeyBCZUZIOCTMFWDE-UHFFFAOYSA-N
XLogP3.52
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129216494) is 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CC3CCC(C2)C3Nc2nc3c(OCCF)ccc(C(F)(F)F)n3n2)ncn1.
What is the InChIKey of 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BCZUZIOCTMFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N7O/c1-12-8-17(27-11-26-12)31-9-13-2-3-14(10-31)18(13)28-20-29-19-15(33-7-6-22)4-5-16(21(23,24)25)32(19)30-20/h4-5,8,11,13-14,18H,2-3,6-7,9-10H2,1H3,(H,28,30).
What are the key properties of 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 465.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoroethoxy)-N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129216494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).