(2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol

C24H24F4N6O2 — CID 142767735

About (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol

(2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol (PubChem CID 142767735) has the molecular formula C24H24F4N6O2 and a molecular weight of 504.49 g/mol. Its IUPAC name is (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol
• PubChem CID: 142767735
• Molecular Formula: C24H24F4N6O2
• Molecular Weight: 504.49 g/mol
• Exact Mass: 504.19
• IUPAC Name: (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol
• SMILES: C[C@H](CO)Oc1cc(F)cc2ccc(-c3nnc4ccc([C@@H](N5CC[C@@H](N)C5)C(F)(F)F)cn34)nc12
• InChI: InChI=1S/C24H24F4N6O2/c1-13(12-35)36-19-9-16(25)8-14-2-4-18(30-21(14)19)23-32-31-20-5-3-15(10-34(20)23)22(24(26,27)28)33-7-6-17(29)11-33/h2-5,8-10,13,17,22,35H,6-7,11-12,29H2,1H3/t13-,17-,22-/m1/s1
• InChIKey: APGIUBFXOWTGJL-NYFKNOIKSA-N
• XLogP: 3.48
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.49
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol?

The IUPAC name of (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol (CID 142767735) is (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol.

What is the SMILES notation for (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol?

The canonical SMILES for (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol is C[C@H](CO)Oc1cc(F)cc2ccc(-c3nnc4ccc([C@@H](N5CC[C@@H](N)C5)C(F)(F)F)cn34)nc12.

What is the InChIKey of (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol?

The InChIKey is APGIUBFXOWTGJL-NYFKNOIKSA-N. The full InChI is InChI=1S/C24H24F4N6O2/c1-13(12-35)36-19-9-16(25)8-14-2-4-18(30-21(14)19)23-32-31-20-5-3-15(10-34(20)23)22(24(26,27)28)33-7-6-17(29)11-33/h2-5,8-10,13,17,22,35H,6-7,11-12,29H2,1H3/t13-,17-,22-/m1/s1.

What are the key properties of (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol?

(2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol has a molecular weight of 504.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[6-[(1R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxypropan-1-ol is sourced from PubChem (CID 142767735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).