5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole

C105H108F4N18O7 — CID 161220829

About 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole

5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole (PubChem CID 161220829) has the molecular formula C105H108F4N18O7 and a molecular weight of 1810.13 g/mol. Its IUPAC name is 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole.

Molecular Properties

• Compound Name: 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole
• PubChem CID: 161220829
• Molecular Formula: C105H108F4N18O7
• Molecular Weight: 1810.13 g/mol
• Exact Mass: 1808.86
• IUPAC Name: 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole
• SMILES: CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC5CC5)cc43)ccn1)C2.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1.FC1(F)CCCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1.FC1(F)CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1.O[C@H]1CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1
• InChI: InChI=1S/C23H24N6O.C21H21F2N3O.C21H23N3O2.C20H19F2N3O.C20H21N3O2/c1-2-20-26-27-22-14-28(9-10-29(20)22)21-11-15(7-8-24-21)23-19-12-18(30-17-5-6-17)4-3-16(19)13-25-23;22-21(23)7-1-9-26(13-21)19-10-14(6-8-24-19)20-18-11-17(27-16-4-5-16)3-2-15(18)12-25-20;1-25-18-7-9-24(13-18)20-10-14(6-8-22-20)21-19-11-17(26-16-4-5-16)3-2-15(19)12-23-21;21-20(22)6-8-25(12-20)18-9-13(5-7-23-18)19-17-10-16(26-15-3-4-15)2-1-14(17)11-24-19;24-15-6-8-23(12-15)19-9-13(5-7-21-19)20-18-10-17(25-16-3-4-16)2-1-14(18)11-22-20/h3-4,7-8,11-12,17H,2,5-6,9-10,13-14H2,1H3;2-3,6,8,10-11,16H,1,4-5,7,9,12-13H2;2-3,6,8,10-11,16,18H,4-5,7,9,12-13H2,1H3;1-2,5,7,9-10,15H,3-4,6,8,11-12H2;1-2,5,7,9-10,15-16,24H,3-4,6,8,11-12H2/t;;18-;;15-/m..0.0/s1
• InChIKey: UXMBFGRWUISJQZ-YREPVEETSA-N
• XLogP: 16.92
• TPSA: 248.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.13
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole?

The IUPAC name of 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole (CID 161220829) is 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole.

What is the SMILES notation for 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole?

The canonical SMILES for 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole is CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC5CC5)cc43)ccn1)C2.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1.FC1(F)CCCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1.FC1(F)CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1.O[C@H]1CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)C1.

What is the InChIKey of 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole?

The InChIKey is UXMBFGRWUISJQZ-YREPVEETSA-N. The full InChI is InChI=1S/C23H24N6O.C21H21F2N3O.C21H23N3O2.C20H19F2N3O.C20H21N3O2/c1-2-20-26-27-22-14-28(9-10-29(20)22)21-11-15(7-8-24-21)23-19-12-18(30-17-5-6-17)4-3-16(19)13-25-23;22-21(23)7-1-9-26(13-21)19-10-14(6-8-24-19)20-18-11-17(27-16-4-5-16)3-2-15(18)12-25-20;1-25-18-7-9-24(13-18)20-10-14(6-8-22-20)21-19-11-17(26-16-4-5-16)3-2-15(19)12-23-21;21-20(22)6-8-25(12-20)18-9-13(5-7-23-18)19-17-10-16(26-15-3-4-15)2-1-14(17)11-24-19;24-15-6-8-23(12-15)19-9-13(5-7-21-19)20-18-10-17(25-16-3-4-16)2-1-14(18)11-22-20/h3-4,7-8,11-12,17H,2,5-6,9-10,13-14H2,1H3;2-3,6,8,10-11,16H,1,4-5,7,9,12-13H2;2-3,6,8,10-11,16,18H,4-5,7,9,12-13H2,1H3;1-2,5,7,9-10,15H,3-4,6,8,11-12H2;1-2,5,7,9-10,15-16,24H,3-4,6,8,11-12H2/t;;18-;;15-/m..0.0/s1.

What are the key properties of 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole?

5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole has a molecular weight of 1810.13 g/mol, XLogP of 16.92, 22 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole is sourced from PubChem (CID 161220829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).