2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol

C103H91F15N20O9 — CID 159235343

About 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol

2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 159235343) has the molecular formula C103H91F15N20O9 and a molecular weight of 2037.96 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

• Compound Name: 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
• PubChem CID: 159235343
• Molecular Formula: C103H91F15N20O9
• Molecular Weight: 2037.96 g/mol
• Exact Mass: 2036.70
• IUPAC Name: 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
• SMILES: CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn1)C2.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.Cc1nc2c(o1)CCN(c1cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn1)C2.FC(F)(F)Oc1ccc2c(c1)C(c1ccnc(N3CCc4nc(C5CC5)oc4C3)c1)=NC2.OC[C@H]1CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1
• InChI: InChI=1S/C23H19F3N4O2.C21H19F3N6O.C21H17F3N4O2.2C19H18F3N3O2/c24-23(25,26)32-16-4-3-15-11-28-21(17(15)10-16)14-5-7-27-20(9-14)30-8-6-18-19(12-30)31-22(29-18)13-1-2-13;1-2-17-27-28-19-12-29(7-8-30(17)19)18-9-13(5-6-25-18)20-16-10-15(31-21(22,23)24)4-3-14(16)11-26-20;1-12-27-17-11-28(7-5-18(17)29-12)19-8-13(4-6-25-19)20-16-9-15(30-21(22,23)24)3-2-14(16)10-26-20;1-26-15-5-7-25(11-15)17-8-12(4-6-23-17)18-16-9-14(27-19(20,21)22)3-2-13(16)10-24-18;20-19(21,22)27-15-2-1-14-9-24-18(16(14)8-15)13-3-5-23-17(7-13)25-6-4-12(10-25)11-26/h3-5,7,9-10,13H,1-2,6,8,11-12H2;3-6,9-10H,2,7-8,11-12H2,1H3;2-4,6,8-9H,5,7,10-11H2,1H3;2-4,6,8-9,15H,5,7,10-11H2,1H3;1-3,5,7-8,12,26H,4,6,9-11H2/t;;;15-;12-/m...10/s1
• InChIKey: KTKBBKZDILNZQD-IYDMBLKISA-N
• XLogP: 19.16
• TPSA: 300.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.96
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?

The IUPAC name of 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 159235343) is 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol.

What is the SMILES notation for 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?

The canonical SMILES for 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol is CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn1)C2.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.Cc1nc2c(o1)CCN(c1cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn1)C2.FC(F)(F)Oc1ccc2c(c1)C(c1ccnc(N3CCc4nc(C5CC5)oc4C3)c1)=NC2.OC[C@H]1CCN(c2cc(C3=NCc4ccc(OC(F)(F)F)cc43)ccn2)C1.

What is the InChIKey of 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?

The InChIKey is KTKBBKZDILNZQD-IYDMBLKISA-N. The full InChI is InChI=1S/C23H19F3N4O2.C21H19F3N6O.C21H17F3N4O2.2C19H18F3N3O2/c24-23(25,26)32-16-4-3-15-11-28-21(17(15)10-16)14-5-7-27-20(9-14)30-8-6-18-19(12-30)31-22(29-18)13-1-2-13;1-2-17-27-28-19-12-29(7-8-30(17)19)18-9-13(5-6-25-18)20-16-10-15(31-21(22,23)24)4-3-14(16)11-26-20;1-12-27-17-11-28(7-5-18(17)29-12)19-8-13(4-6-25-19)20-16-9-15(30-21(22,23)24)3-2-14(16)10-26-20;1-26-15-5-7-25(11-15)17-8-12(4-6-23-17)18-16-9-14(27-19(20,21)22)3-2-13(16)10-24-18;20-19(21,22)27-15-2-1-14-9-24-18(16(14)8-15)13-3-5-23-17(7-13)25-6-4-12(10-25)11-26/h3-5,7,9-10,13H,1-2,6,8,11-12H2;3-6,9-10H,2,7-8,11-12H2,1H3;2-4,6,8-9H,5,7,10-11H2,1H3;2-4,6,8-9,15H,5,7,10-11H2,1H3;1-3,5,7-8,12,26H,4,6,9-11H2/t;;;15-;12-/m...10/s1.

What are the key properties of 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?

2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 2037.96 g/mol, XLogP of 19.16, 19 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;3-ethyl-7-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;2-methyl-5-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;[(3S)-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 159235343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).