4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile

C₁₀₁H₈₆F₄IN₁₇O₉S₄ — CID 157326156

About 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile

4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile (PubChem CID 157326156) has the molecular formula C₁₀₁H₈₆F₄IN₁₇O₉S₄ and a molecular weight of 2013.07 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile.

Molecular Properties

• Compound Name: 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile
• PubChem CID: 157326156
• Molecular Formula: C₁₀₁H₈₆F₄IN₁₇O₉S₄
• Molecular Weight: 2013.07 g/mol
• Exact Mass: 2011.47
• IUPAC Name: 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile
• SMILES: Cc1cc2c(N(C)C)ccc(C#N)c2[nH]1.Cc1cc2c(N(C)C)ccc(C(N)=O)c2[nH]1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(F)ccc(C#N)c32)cc1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(N(C)C)ccc(C#N)c32)cc1.Cc1ccc(S(=O)(=O)n2c(I)cc3c(F)ccc(C#N)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(F)ccc(C#N)c32)cc1.N#Cc1ccc(F)c2cc[nH]c12
• InChI: InChI=1S/C19H19N3O2S.C17H13FN2O2S.C16H10FIN2O2S.C16H11FN2O2S.C12H15N3O.C12H13N3.C9H5FN2/c1-13-5-8-16(9-6-13)25(23,24)22-14(2)11-17-18(21(3)4)10-7-15(12-20)19(17)22;1-11-3-6-14(7-4-11)23(21,22)20-12(2)9-15-16(18)8-5-13(10-19)17(15)20;1-10-2-5-12(6-3-10)23(21,22)20-15(18)8-13-14(17)7-4-11(9-19)16(13)20;1-11-2-5-13(6-3-11)22(20,21)19-9-8-14-15(17)7-4-12(10-18)16(14)19;1-7-6-9-10(15(2)3)5-4-8(12(13)16)11(9)14-7;1-8-6-10-11(15(2)3)5-4-9(7-13)12(10)14-8;10-8-2-1-6(5-11)9-7(8)3-4-12-9/h5-11H,1-4H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3;4-6,14H,1-3H3,(H2,13,16);4-6,14H,1-3H3;1-4,12H
• InChIKey: BESYHJXTVANVQP-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 399.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.07
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile?

The IUPAC name of 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile (CID 157326156) is 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile.

What is the SMILES notation for 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile?

The canonical SMILES for 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile is Cc1cc2c(N(C)C)ccc(C#N)c2[nH]1.Cc1cc2c(N(C)C)ccc(C(N)=O)c2[nH]1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(F)ccc(C#N)c32)cc1.Cc1ccc(S(=O)(=O)n2c(C)cc3c(N(C)C)ccc(C#N)c32)cc1.Cc1ccc(S(=O)(=O)n2c(I)cc3c(F)ccc(C#N)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(F)ccc(C#N)c32)cc1.N#Cc1ccc(F)c2cc[nH]c12.

What is the InChIKey of 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile?

The InChIKey is BESYHJXTVANVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S.C17H13FN2O2S.C16H10FIN2O2S.C16H11FN2O2S.C12H15N3O.C12H13N3.C9H5FN2/c1-13-5-8-16(9-6-13)25(23,24)22-14(2)11-17-18(21(3)4)10-7-15(12-20)19(17)22;1-11-3-6-14(7-4-11)23(21,22)20-12(2)9-15-16(18)8-5-13(10-19)17(15)20;1-10-2-5-12(6-3-10)23(21,22)20-15(18)8-13-14(17)7-4-11(9-19)16(13)20;1-11-2-5-13(6-3-11)22(20,21)19-9-8-14-15(17)7-4-12(10-18)16(14)19;1-7-6-9-10(15(2)3)5-4-8(12(13)16)11(9)14-7;1-8-6-10-11(15(2)3)5-4-9(7-13)12(10)14-8;10-8-2-1-6(5-11)9-7(8)3-4-12-9/h5-11H,1-4H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3;4-6,14H,1-3H3,(H2,13,16);4-6,14H,1-3H3;1-4,12H.

What are the key properties of 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile?

4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile has a molecular weight of 2013.07 g/mol, XLogP of 20.17, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-2-methyl-1H-indole-7-carbonitrile;4-(dimethylamino)-2-methyl-1H-indole-7-carboxamide;4-(dimethylamino)-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1H-indole-7-carbonitrile;4-fluoro-2-iodo-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindole-7-carbonitrile;4-fluoro-1-(4-methylphenyl)sulfonylindole-7-carbonitrile is sourced from PubChem (CID 157326156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157326156 — identifiers, structure, computed properties (public domain)

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