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

C23H25F3N4O — CID 69093611

IUPAC4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CCO1
InChIInChI=1S/C23H25F3N4O/c1-22(18-5-3-2-4-6-18)15-29(11-12-31-22)14-17-9-10-30-19(13-16-7-8-16)27-28-21(30)20(17)23(24,25)26/h2-6,9-10,16H,7-8,11-15H2,1H3
InChIKeyQXXHMQXUVYRDCI-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.45
Rot. Bonds5

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

4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine (PubChem CID 69093611) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine
PubChem CID69093611
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CCO1
InChIInChI=1S/C23H25F3N4O/c1-22(18-5-3-2-4-6-18)15-29(11-12-31-22)14-17-9-10-30-19(13-16-7-8-16)27-28-21(30)20(17)23(24,25)26/h2-6,9-10,16H,7-8,11-15H2,1H3
InChIKeyQXXHMQXUVYRDCI-UHFFFAOYSA-N
XLogP4.45
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine?
The IUPAC name of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine (CID 69093611) is 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine?
The canonical SMILES for 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine is CC1(c2ccccc2)CN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CCO1.
What is the InChIKey of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine?
The InChIKey is QXXHMQXUVYRDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-22(18-5-3-2-4-6-18)15-29(11-12-31-22)14-17-9-10-30-19(13-16-7-8-16)27-28-21(30)20(17)23(24,25)26/h2-6,9-10,16H,7-8,11-15H2,1H3.
What are the key properties of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine?
4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine has a molecular weight of 430.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-2-methyl-2-phenylmorpholine is sourced from PubChem (CID 69093611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).