2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane

C77H73BrN18O6 — CID 160998708

About 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane

2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane (PubChem CID 160998708) has the molecular formula C77H73BrN18O6 and a molecular weight of 1426.45 g/mol. Its IUPAC name is 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane.

Molecular Properties

• Compound Name: 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane
• PubChem CID: 160998708
• Molecular Formula: C77H73BrN18O6
• Molecular Weight: 1426.45 g/mol
• Exact Mass: 1424.51
• IUPAC Name: 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane
• SMILES: C.CC(C)Br.CC(C)Oc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3cccnc3)c(O)cc2CN1c1cccc(-c2nncn2C2CC2)n1
• InChI: InChI=1S/C26H24N6O2.C24H20N6O2.C23H18N6O2.C3H7Br.CH4/c1-16(2)34-23-11-18-14-31(26(33)21(18)12-20(23)17-5-4-10-27-13-17)24-7-3-6-22(29-24)25-30-28-15-32(25)19-8-9-19;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;30-20-9-15-12-28(23(31)18(15)10-17(20)14-3-2-8-24-11-14)21-5-1-4-19(26-21)22-27-25-13-29(22)16-6-7-16;1-3(2)4;/h3-7,10-13,15-16,19H,8-9,14H2,1-2H3;2-6,9-12,14,17H,7-8,13H2,1H3;1-5,8-11,13,16,30H,6-7,12H2;3H,1-2H3;1H4
• InChIKey: TVOVDQWSCVSYNJ-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 269.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.45
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane?

The IUPAC name of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane (CID 160998708) is 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane.

What is the SMILES notation for 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane?

The canonical SMILES for 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane is C.CC(C)Br.CC(C)Oc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3cccnc3)c(O)cc2CN1c1cccc(-c2nncn2C2CC2)n1.

What is the InChIKey of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane?

The InChIKey is TVOVDQWSCVSYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2.C24H20N6O2.C23H18N6O2.C3H7Br.CH4/c1-16(2)34-23-11-18-14-31(26(33)21(18)12-20(23)17-5-4-10-27-13-17)24-7-3-6-22(29-24)25-30-28-15-32(25)19-8-9-19;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;30-20-9-15-12-28(23(31)18(15)10-17(20)14-3-2-8-24-11-14)21-5-1-4-19(26-21)22-27-25-13-29(22)16-6-7-16;1-3(2)4;/h3-7,10-13,15-16,19H,8-9,14H2,1-2H3;2-6,9-12,14,17H,7-8,13H2,1H3;1-5,8-11,13,16,30H,6-7,12H2;3H,1-2H3;1H4.

What are the key properties of 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane?

2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane has a molecular weight of 1426.45 g/mol, XLogP of 14.62, 15 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopropane;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-hydroxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;methane is sourced from PubChem (CID 160998708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).