(2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine

C23H23F5N4O — CID 158178218

IUPAC(2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine
SMILESC[C@@]1(c2ccc(F)cc2F)CN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CCO1
InChIInChI=1S/C23H23F5N4O/c1-22(17-5-4-16(24)11-18(17)25)13-31(8-9-33-22)12-15-6-7-32-19(10-14-2-3-14)29-30-21(32)20(15)23(26,27)28/h4-7,11,14H,2-3,8-10,12-13H2,1H3/t22-/m0/s1
InChIKeyFYGHZUSPUQZETL-QFIPXVFZSA-N
MW466.45 g/mol
LogP4.73
Rot. Bonds5

About (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine

(2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine (PubChem CID 158178218) has the molecular formula C23H23F5N4O and a molecular weight of 466.45 g/mol. Its IUPAC name is (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine
PubChem CID158178218
Molecular FormulaC23H23F5N4O
Molecular Weight466.45 g/mol
Exact Mass466.18
IUPAC Name(2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine
SMILESC[C@@]1(c2ccc(F)cc2F)CN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CCO1
InChIInChI=1S/C23H23F5N4O/c1-22(17-5-4-16(24)11-18(17)25)13-31(8-9-33-22)12-15-6-7-32-19(10-14-2-3-14)29-30-21(32)20(15)23(26,27)28/h4-7,11,14H,2-3,8-10,12-13H2,1H3/t22-/m0/s1
InChIKeyFYGHZUSPUQZETL-QFIPXVFZSA-N
XLogP4.73
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine?
The IUPAC name of (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine (CID 158178218) is (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine.
What is the SMILES notation for (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine?
The canonical SMILES for (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine is C[C@@]1(c2ccc(F)cc2F)CN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CCO1.
What is the InChIKey of (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine?
The InChIKey is FYGHZUSPUQZETL-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23F5N4O/c1-22(17-5-4-16(24)11-18(17)25)13-31(8-9-33-22)12-15-6-7-32-19(10-14-2-3-14)29-30-21(32)20(15)23(26,27)28/h4-7,11,14H,2-3,8-10,12-13H2,1H3/t22-/m0/s1.
What are the key properties of (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine?
(2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine has a molecular weight of 466.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-(2,4-difluorophenyl)-2-methylmorpholine is sourced from PubChem (CID 158178218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).