About 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one
5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one (PubChem CID 157206358) has the molecular formula C170H171N41O18
and a molecular weight of 3076.51 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one.
Frequently Asked Questions
What is the IUPAC name of 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one?
The IUPAC name of 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one (CID 157206358) is 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one?
The canonical SMILES for 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one is CC1(O)CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.CN1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.COC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.O=C(CC1CC1)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C(CC1CCOCC1)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCC(O)CC1.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCCCC1.
What is the InChIKey of 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one?
The InChIKey is ARKDLADGIUMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N6O3.C25H25N5O3.C24H25N7O2.C24H24N6O3.C24H24N6O2.C23H21N5O2/c1-34-19-9-11-29(12-10-19)24(32)16-5-8-20-17(13-16)14-30(25(20)33)22-4-2-3-21(27-22)23-28-26-15-31(23)18-6-7-18;1-25(34)9-11-29(12-10-25)23(32)16-5-8-19-17(13-16)14-30(24(19)33)21-4-2-3-20(27-21)22-28-26-15-31(22)18-6-7-18;31-22(12-16-8-10-33-11-9-16)17-4-7-20-18(13-17)14-29(25(20)32)23-3-1-2-21(27-23)24-28-26-15-30(24)19-5-6-19;1-28-9-11-29(12-10-28)23(32)16-5-8-19-17(13-16)14-30(24(19)33)21-4-2-3-20(26-21)22-27-25-15-31(22)18-6-7-18;31-18-8-10-28(11-9-18)23(32)15-4-7-19-16(12-15)13-29(24(19)33)21-3-1-2-20(26-21)22-27-25-14-30(22)17-5-6-17;31-23(28-11-2-1-3-12-28)16-7-10-19-17(13-16)14-29(24(19)32)21-6-4-5-20(26-21)22-27-25-15-30(22)18-8-9-18;29-20(10-14-4-5-14)15-6-9-18-16(11-15)12-27(23(18)30)21-3-1-2-19(25-21)22-26-24-13-28(22)17-7-8-17/h2-5,8,13,15,18-19H,6-7,9-12,14H2,1H3;2-5,8,13,15,18,34H,6-7,9-12,14H2,1H3;1-4,7,13,15-16,19H,5-6,8-12,14H2;2-5,8,13,15,18H,6-7,9-12,14H2,1H3;1-4,7,12,14,17-18,31H,5-6,8-11,13H2;4-7,10,13,15,18H,1-3,8-9,11-12,14H2;1-3,6,9,11,13-14,17H,4-5,7-8,10,12H2.
What are the key properties of 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one?
5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one has a molecular weight of 3076.51 g/mol, XLogP of 21.68, 33 rotatable bonds, 2 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-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]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one is sourced from PubChem (CID 157206358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).