N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine

C44H34Cl2F6IN9O7S2 — CID 158292195

About N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine

N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine (PubChem CID 158292195) has the molecular formula C44H34Cl2F6IN9O7S2 and a molecular weight of 1176.74 g/mol. Its IUPAC name is N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine
• PubChem CID: 158292195
• Molecular Formula: C44H34Cl2F6IN9O7S2
• Molecular Weight: 1176.74 g/mol
• Exact Mass: 1175.03
• IUPAC Name: N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine
• SMILES: CON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc3[nH]ncc23)cc1C(F)(F)F.Ic1ccnc2c1C=NC2
• InChI: InChI=1S/C21H14ClF3N4O3S.C16H15ClF3N3O4S.C7H5IN2/c1-11-5-6-13(8-16(11)21(23,24)25)33(31,32)29-18-7-12(22)9-26-19(18)20(30)14-3-2-4-17-15(14)10-27-28-17;1-9-4-5-11(7-12(9)16(18,19)20)28(25,26)22-13-6-10(17)8-21-14(13)15(24)23(2)27-3;8-6-1-2-10-7-4-9-3-5(6)7/h2-10,29H,1H3,(H,27,28);4-8,22H,1-3H3;1-3H,4H2
• InChIKey: GLMJOVIOIIQPNU-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 218.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.74
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?

The IUPAC name of N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine (CID 158292195) is N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine.

What is the SMILES notation for N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?

The canonical SMILES for N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine is CON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc3[nH]ncc23)cc1C(F)(F)F.Ic1ccnc2c1C=NC2.

What is the InChIKey of N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?

The InChIKey is GLMJOVIOIIQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O3S.C16H15ClF3N3O4S.C7H5IN2/c1-11-5-6-13(8-16(11)21(23,24)25)33(31,32)29-18-7-12(22)9-26-19(18)20(30)14-3-2-4-17-15(14)10-27-28-17;1-9-4-5-11(7-12(9)16(18,19)20)28(25,26)22-13-6-10(17)8-21-14(13)15(24)23(2)27-3;8-6-1-2-10-7-4-9-3-5(6)7/h2-10,29H,1H3,(H,27,28);4-8,22H,1-3H3;1-3H,4H2.

What are the key properties of N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?

N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine has a molecular weight of 1176.74 g/mol, XLogP of 10.09, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-(1H-indazole-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;4-iodo-7H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 158292195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).