2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one

C111H101N33O12 — CID 159499200

About 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one

2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one (PubChem CID 159499200) has the molecular formula C111H101N33O12 and a molecular weight of 2089.25 g/mol. Its IUPAC name is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one
• PubChem CID: 159499200
• Molecular Formula: C111H101N33O12
• Molecular Weight: 2089.25 g/mol
• Exact Mass: 2087.83
• IUPAC Name: 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one
• SMILES: CNC(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.COCCNC(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C(NCCn1ccnc1)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCOCC1.O=C1c2ccc(C(=O)n3cccn3)cc2CN1c1cccc(-c2nncn2C2CC2)n1
• InChI: InChI=1S/C24H22N8O2.C23H22N6O3.C22H17N7O2.C22H22N6O3.C20H18N6O2/c33-23(26-9-11-30-10-8-25-14-30)16-4-7-19-17(12-16)13-31(24(19)34)21-3-1-2-20(28-21)22-29-27-15-32(22)18-5-6-18;30-22(27-8-10-32-11-9-27)15-4-7-18-16(12-15)13-28(23(18)31)20-3-1-2-19(25-20)21-26-24-14-29(21)17-5-6-17;30-21(29-10-2-9-24-29)14-5-8-17-15(11-14)12-27(22(17)31)19-4-1-3-18(25-19)20-26-23-13-28(20)16-6-7-16;1-31-10-9-23-21(29)14-5-8-17-15(11-14)12-27(22(17)30)19-4-2-3-18(25-19)20-26-24-13-28(20)16-6-7-16;1-21-19(27)12-5-8-15-13(9-12)10-25(20(15)28)17-4-2-3-16(23-17)18-24-22-11-26(18)14-6-7-14/h1-4,7-8,10,12,14-15,18H,5-6,9,11,13H2,(H,26,33);1-4,7,12,14,17H,5-6,8-11,13H2;1-5,8-11,13,16H,6-7,12H2;2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,23,29);2-5,8-9,11,14H,6-7,10H2,1H3,(H,21,27)
• InChIKey: LZEAQKFPWOUHQH-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 498.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.25
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one?

The IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one (CID 159499200) is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one.

What is the SMILES notation for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one?

The canonical SMILES for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one is CNC(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.COCCNC(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C(NCCn1ccnc1)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCOCC1.O=C1c2ccc(C(=O)n3cccn3)cc2CN1c1cccc(-c2nncn2C2CC2)n1.

What is the InChIKey of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one?

The InChIKey is LZEAQKFPWOUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2.C23H22N6O3.C22H17N7O2.C22H22N6O3.C20H18N6O2/c33-23(26-9-11-30-10-8-25-14-30)16-4-7-19-17(12-16)13-31(24(19)34)21-3-1-2-20(28-21)22-29-27-15-32(22)18-5-6-18;30-22(27-8-10-32-11-9-27)15-4-7-18-16(12-15)13-28(23(18)31)20-3-1-2-19(25-20)21-26-24-14-29(21)17-5-6-17;30-21(29-10-2-9-24-29)14-5-8-17-15(11-14)12-27(22(17)31)19-4-1-3-18(25-19)20-26-23-13-28(20)16-6-7-16;1-31-10-9-23-21(29)14-5-8-17-15(11-14)12-27(22(17)30)19-4-2-3-18(25-19)20-26-24-13-28(20)16-6-7-16;1-21-19(27)12-5-8-15-13(9-12)10-25(20(15)28)17-4-2-3-16(23-17)18-24-22-11-26(18)14-6-7-14/h1-4,7-8,10,12,14-15,18H,5-6,9,11,13H2,(H,26,33);1-4,7,12,14,17H,5-6,8-11,13H2;1-5,8-11,13,16H,6-7,12H2;2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,23,29);2-5,8-9,11,14H,6-7,10H2,1H3,(H,21,27).

What are the key properties of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one?

2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one has a molecular weight of 2089.25 g/mol, XLogP of 11.90, 26 rotatable bonds, 3 hydrogen bond donors, and 36 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-(2-imidazol-1-ylethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-methyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one is sourced from PubChem (CID 159499200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).