[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone

C24H25F3N4O3 — CID 157475662

IUPAC[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone
SMILESC[C@]1(C(=O)N2CCC(Oc3ccc(-c4ccc5nnc(C(F)(F)F)n5c4)cc3)CC2)CCCO1
InChIInChI=1S/C24H25F3N4O3/c1-23(11-2-14-33-23)22(32)30-12-9-19(10-13-30)34-18-6-3-16(4-7-18)17-5-8-20-28-29-21(24(25,26)27)31(20)15-17/h3-8,15,19H,2,9-14H2,1H3/t23-/m1/s1
InChIKeyBVOGJZJBWZKUCD-HSZRJFAPSA-N
MW474.48 g/mol
LogP4.35
Rot. Bonds4

About [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone

[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone (PubChem CID 157475662) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone
PubChem CID157475662
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone
SMILESC[C@]1(C(=O)N2CCC(Oc3ccc(-c4ccc5nnc(C(F)(F)F)n5c4)cc3)CC2)CCCO1
InChIInChI=1S/C24H25F3N4O3/c1-23(11-2-14-33-23)22(32)30-12-9-19(10-13-30)34-18-6-3-16(4-7-18)17-5-8-20-28-29-21(24(25,26)27)31(20)15-17/h3-8,15,19H,2,9-14H2,1H3/t23-/m1/s1
InChIKeyBVOGJZJBWZKUCD-HSZRJFAPSA-N
XLogP4.35
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone?
The IUPAC name of [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone (CID 157475662) is [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone is C[C@]1(C(=O)N2CCC(Oc3ccc(-c4ccc5nnc(C(F)(F)F)n5c4)cc3)CC2)CCCO1.
What is the InChIKey of [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone?
The InChIKey is BVOGJZJBWZKUCD-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-23(11-2-14-33-23)22(32)30-12-9-19(10-13-30)34-18-6-3-16(4-7-18)17-5-8-20-28-29-21(24(25,26)27)31(20)15-17/h3-8,15,19H,2,9-14H2,1H3/t23-/m1/s1.
What are the key properties of [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone?
[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone has a molecular weight of 474.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 157475662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).