2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one

C108H94N34O6 — CID 157432534

About 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one

2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one (PubChem CID 157432534) has the molecular formula C108H94N34O6 and a molecular weight of 1964.17 g/mol. Its IUPAC name is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one
• PubChem CID: 157432534
• Molecular Formula: C108H94N34O6
• Molecular Weight: 1964.17 g/mol
• Exact Mass: 1962.81
• IUPAC Name: 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one
• SMILES: CN(C)C(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.Cn1ccc(-c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)n1.Cn1cnc(-c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)c1.Cn1nccc1-c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C1c2ccc(-c3ccn[nH]3)cc2CN1c1cccc(-c2nncn2C2CC2)n1
• InChI: InChI=1S/3C22H19N7O.C21H17N7O.C21H20N6O2/c1-27-11-19(23-12-27)14-5-8-17-15(9-14)10-28(22(17)30)20-4-2-3-18(25-20)21-26-24-13-29(21)16-6-7-16;1-27-10-9-18(26-27)14-5-8-17-15(11-14)12-28(22(17)30)20-4-2-3-19(24-20)21-25-23-13-29(21)16-6-7-16;1-27-19(9-10-24-27)14-5-8-17-15(11-14)12-28(22(17)30)20-4-2-3-18(25-20)21-26-23-13-29(21)16-6-7-16;29-21-16-7-4-13(17-8-9-22-25-17)10-14(16)11-27(21)19-3-1-2-18(24-19)20-26-23-12-28(20)15-5-6-15;1-25(2)20(28)13-6-9-16-14(10-13)11-26(21(16)29)18-5-3-4-17(23-18)19-24-22-12-27(19)15-7-8-15/h2-5,8-9,11-13,16H,6-7,10H2,1H3;2*2-5,8-11,13,16H,6-7,12H2,1H3;1-4,7-10,12,15H,5-6,11H2,(H,22,25);3-6,9-10,12,15H,7-8,11H2,1-2H3
• InChIKey: BQSCLEBZDSQIDW-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 422.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.17
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?

The IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one (CID 157432534) is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one.

What is the SMILES notation for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?

The canonical SMILES for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one is CN(C)C(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.Cn1ccc(-c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)n1.Cn1cnc(-c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)c1.Cn1nccc1-c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C1c2ccc(-c3ccn[nH]3)cc2CN1c1cccc(-c2nncn2C2CC2)n1.

What is the InChIKey of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?

The InChIKey is BQSCLEBZDSQIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H19N7O.C21H17N7O.C21H20N6O2/c1-27-11-19(23-12-27)14-5-8-17-15(9-14)10-28(22(17)30)20-4-2-3-18(25-20)21-26-24-13-29(21)16-6-7-16;1-27-10-9-18(26-27)14-5-8-17-15(11-14)12-28(22(17)30)20-4-2-3-19(24-20)21-25-23-13-29(21)16-6-7-16;1-27-19(9-10-24-27)14-5-8-17-15(11-14)12-28(22(17)30)20-4-2-3-18(25-20)21-26-23-13-29(21)16-6-7-16;29-21-16-7-4-13(17-8-9-22-25-17)10-14(16)11-27(21)19-3-1-2-18(24-19)20-26-23-12-28(20)15-5-6-15;1-25(2)20(28)13-6-9-16-14(10-13)11-26(21(16)29)18-5-3-4-17(23-18)19-24-22-12-27(19)15-7-8-15/h2-5,8-9,11-13,16H,6-7,10H2,1H3;2*2-5,8-11,13,16H,6-7,12H2,1H3;1-4,7-10,12,15H,5-6,11H2,(H,22,25);3-6,9-10,12,15H,7-8,11H2,1-2H3.

What are the key properties of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?

2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one has a molecular weight of 1964.17 g/mol, XLogP of 15.47, 20 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylimidazol-4-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 157432534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).