2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane

C52H49Cl2F2N11O2 — CID 158899398

About 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane

2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane (PubChem CID 158899398) has the molecular formula C52H49Cl2F2N11O2 and a molecular weight of 968.94 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane.

Molecular Properties

• Compound Name: 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane
• PubChem CID: 158899398
• Molecular Formula: C52H49Cl2F2N11O2
• Molecular Weight: 968.94 g/mol
• Exact Mass: 967.34
• IUPAC Name: 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane
• SMILES: C.CC(C(=O)N1CCc2cc(-c3ccnc(Cc4ccnn4C)c3)cc(F)c21)c1cccnc1Cl.CC(C(=O)N1CCc2cc(-c3ccnc(Nc4ccnn4C)c3)cc(F)c21)c1cccnc1Cl
• InChI: InChI=1S/C26H23ClFN5O.C25H22ClFN6O.CH4/c1-16(22-4-3-8-30-25(22)27)26(34)33-11-7-18-12-19(14-23(28)24(18)33)17-5-9-29-20(13-17)15-21-6-10-31-32(21)2;1-15(19-4-3-8-29-24(19)26)25(34)33-11-7-17-12-18(13-20(27)23(17)33)16-5-9-28-21(14-16)31-22-6-10-30-32(22)2;/h3-6,8-10,12-14,16H,7,11,15H2,1-2H3;3-6,8-10,12-15H,7,11H2,1-2H3,(H,28,31);1H4
• InChIKey: JFFYXEIVXUHFEK-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 139.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.94
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane?

The IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane (CID 158899398) is 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane.

What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane?

The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane is C.CC(C(=O)N1CCc2cc(-c3ccnc(Cc4ccnn4C)c3)cc(F)c21)c1cccnc1Cl.CC(C(=O)N1CCc2cc(-c3ccnc(Nc4ccnn4C)c3)cc(F)c21)c1cccnc1Cl.

What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane?

The InChIKey is JFFYXEIVXUHFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O.C25H22ClFN6O.CH4/c1-16(22-4-3-8-30-25(22)27)26(34)33-11-7-18-12-19(14-23(28)24(18)33)17-5-9-29-20(13-17)15-21-6-10-31-32(21)2;1-15(19-4-3-8-29-24(19)26)25(34)33-11-7-17-12-18(13-20(27)23(17)33)16-5-9-28-21(14-16)31-22-6-10-30-32(22)2;/h3-6,8-10,12-14,16H,7,11,15H2,1-2H3;3-6,8-10,12-15H,7,11H2,1-2H3,(H,28,31);1H4.

What are the key properties of 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane?

2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane has a molecular weight of 968.94 g/mol, XLogP of 10.70, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]propan-1-one;methane is sourced from PubChem (CID 158899398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).