4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine

C19H20F3N7O — CID 134073508

IUPAC4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine
SMILESFC(F)(F)c1ccnc(N2CCCC2c2nnn3cc(N4CCOCC4)ccc23)n1
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)16-5-6-23-18(24-16)28-7-1-2-14(28)17-15-4-3-13(12-29(15)26-25-17)27-8-10-30-11-9-27/h3-6,12,14H,1-2,7-11H2
InChIKeyVKFYSVICRYZQLA-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.72
Rot. Bonds3

About 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine

4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine (PubChem CID 134073508) has the molecular formula C19H20F3N7O and a molecular weight of 419.41 g/mol. Its IUPAC name is 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine
PubChem CID134073508
Molecular FormulaC19H20F3N7O
Molecular Weight419.41 g/mol
Exact Mass419.17
IUPAC Name4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine
SMILESFC(F)(F)c1ccnc(N2CCCC2c2nnn3cc(N4CCOCC4)ccc23)n1
InChIInChI=1S/C19H20F3N7O/c20-19(21,22)16-5-6-23-18(24-16)28-7-1-2-14(28)17-15-4-3-13(12-29(15)26-25-17)27-8-10-30-11-9-27/h3-6,12,14H,1-2,7-11H2
InChIKeyVKFYSVICRYZQLA-UHFFFAOYSA-N
XLogP2.72
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine?
The IUPAC name of 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine (CID 134073508) is 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine is FC(F)(F)c1ccnc(N2CCCC2c2nnn3cc(N4CCOCC4)ccc23)n1.
What is the InChIKey of 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine?
The InChIKey is VKFYSVICRYZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O/c20-19(21,22)16-5-6-23-18(24-16)28-7-1-2-14(28)17-15-4-3-13(12-29(15)26-25-17)27-8-10-30-11-9-27/h3-6,12,14H,1-2,7-11H2.
What are the key properties of 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine?
4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine has a molecular weight of 419.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]triazolo[1,5-a]pyridin-6-yl]morpholine is sourced from PubChem (CID 134073508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).