6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one

C141H113ClFN39O6 — CID 158651609

About 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one

6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one (PubChem CID 158651609) has the molecular formula C141H113ClFN39O6 and a molecular weight of 2504.17 g/mol. Its IUPAC name is 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one
• PubChem CID: 158651609
• Molecular Formula: C141H113ClFN39O6
• Molecular Weight: 2504.17 g/mol
• Exact Mass: 2501.94
• IUPAC Name: 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one
• SMILES: Cc1ncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)cn1.O=C1c2cc(-c3ccc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnccc3Cl)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnccc3F)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cncnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnn(C4CC4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
• InChI: InChI=1S/C26H22N6O.C24H21N7O.C23H17ClN6O.C23H17FN6O.C23H19N7O.C22H17N7O/c33-26-21-12-17(18-8-11-22(27-13-18)16-4-5-16)6-7-19(21)14-31(26)24-3-1-2-23(29-24)25-30-28-15-32(25)20-9-10-20;32-24-20-10-15(17-11-26-31(13-17)19-8-9-19)4-5-16(20)12-29(24)22-3-1-2-21(27-22)23-28-25-14-30(23)18-6-7-18;2*24-19-8-9-25-11-18(19)14-4-5-15-12-29(23(31)17(15)10-14)21-3-1-2-20(27-21)22-28-26-13-30(22)16-6-7-16;1-14-24-10-17(11-25-14)15-5-6-16-12-29(23(31)19(16)9-15)21-4-2-3-20(27-21)22-28-26-13-30(22)18-7-8-18;30-22-18-8-14(16-9-23-12-24-10-16)4-5-15(18)11-28(22)20-3-1-2-19(26-20)21-27-25-13-29(21)17-6-7-17/h1-3,6-8,11-13,15-16,20H,4-5,9-10,14H2;1-5,10-11,13-14,18-19H,6-9,12H2;2*1-5,8-11,13,16H,6-7,12H2;2-6,9-11,13,18H,7-8,12H2,1H3;1-5,8-10,12-13,17H,6-7,11H2
• InChIKey: IBPVTRGMLJWXAZ-UHFFFAOYSA-N
• XLogP: 24.29
• TPSA: 491.51 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2504.17
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one?

The IUPAC name of 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one (CID 158651609) is 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one.

What is the SMILES notation for 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one?

The canonical SMILES for 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one is Cc1ncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)cn1.O=C1c2cc(-c3ccc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnccc3Cl)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnccc3F)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cncnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cnn(C4CC4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.

What is the InChIKey of 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one?

The InChIKey is IBPVTRGMLJWXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O.C24H21N7O.C23H17ClN6O.C23H17FN6O.C23H19N7O.C22H17N7O/c33-26-21-12-17(18-8-11-22(27-13-18)16-4-5-16)6-7-19(21)14-31(26)24-3-1-2-23(29-24)25-30-28-15-32(25)20-9-10-20;32-24-20-10-15(17-11-26-31(13-17)19-8-9-19)4-5-16(20)12-29(24)22-3-1-2-21(27-22)23-28-25-14-30(23)18-6-7-18;2*24-19-8-9-25-11-18(19)14-4-5-15-12-29(23(31)17(15)10-14)21-3-1-2-20(27-21)22-28-26-13-30(22)16-6-7-16;1-14-24-10-17(11-25-14)15-5-6-16-12-29(23(31)19(16)9-15)21-4-2-3-20(27-21)22-28-26-13-30(22)18-7-8-18;30-22-18-8-14(16-9-23-12-24-10-16)4-5-15(18)11-28(22)20-3-1-2-19(26-20)21-27-25-13-29(21)17-6-7-17/h1-3,6-8,11-13,15-16,20H,4-5,9-10,14H2;1-5,10-11,13-14,18-19H,6-9,12H2;2*1-5,8-11,13,16H,6-7,12H2;2-6,9-11,13,18H,7-8,12H2,1H3;1-5,8-10,12-13,17H,6-7,11H2.

What are the key properties of 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one?

6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one has a molecular weight of 2504.17 g/mol, XLogP of 24.29, 26 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one is sourced from PubChem (CID 158651609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).