About 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole
2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole (PubChem CID 160906158) has the molecular formula C117H113FN34O3
and a molecular weight of 2062.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole.
Frequently Asked Questions
What is the IUPAC name of 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole?
The IUPAC name of 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole (CID 160906158) is 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole.
What is the SMILES notation for 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole?
The canonical SMILES for 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole is CN1CCN(c2cc(C3=NCc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1=O.Cc1noc(C2CN(c3cc(C4=NCc5ccc(-c6cnn(C)c6)cc54)ccn3)C2)n1.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCN(c5ccncn5)CC4)c2)=NC3)cn1.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCN(c5nnc(C6CC6)o5)CC4)c2)=NC3)cn1.Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CC[C@H](F)C4)c2)=NC3)cn1.
What is the InChIKey of 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole?
The InChIKey is SQDYDLXXXLNPSV-PFXFJQGWSA-N. The full InChI is InChI=1S/C26H26N8O.C25H24N8.C23H21N7O.C22H22N6O.C21H20FN5/c1-32-16-21(15-29-32)18-4-5-20-14-28-24(22(20)12-18)19-6-7-27-23(13-19)33-8-10-34(11-9-33)26-31-30-25(35-26)17-2-3-17;1-31-16-21(15-30-31)18-2-3-20-14-28-25(22(20)12-18)19-4-7-27-24(13-19)33-10-8-32(9-11-33)23-5-6-26-17-29-23;1-14-27-23(31-28-14)19-12-30(13-19)21-8-16(5-6-24-21)22-20-7-15(3-4-17(20)9-25-22)18-10-26-29(2)11-18;1-26-7-8-28(14-21(26)29)20-10-16(5-6-23-20)22-19-9-15(3-4-17(19)11-24-22)18-12-25-27(2)13-18;1-26-12-17(11-25-26)14-2-3-16-10-24-21(19(16)8-14)15-4-6-23-20(9-15)27-7-5-18(22)13-27/h4-7,12-13,15-17H,2-3,8-11,14H2,1H3;2-7,12-13,15-17H,8-11,14H2,1H3;3-8,10-11,19H,9,12-13H2,1-2H3;3-6,9-10,12-13H,7-8,11,14H2,1-2H3;2-4,6,8-9,11-12,18H,5,7,10,13H2,1H3/t;;;;18-/m....0/s1.
What are the key properties of 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole?
2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole has a molecular weight of 2062.42 g/mol, XLogP of 14.99, 19 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole is sourced from PubChem (CID 160906158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).