3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile

C108H105Cl2FN14O5 — CID 158310681

About 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile

3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile (PubChem CID 158310681) has the molecular formula C108H105Cl2FN14O5 and a molecular weight of 1769.02 g/mol. Its IUPAC name is 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile.

Molecular Properties

• Compound Name: 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile
• PubChem CID: 158310681
• Molecular Formula: C108H105Cl2FN14O5
• Molecular Weight: 1769.02 g/mol
• Exact Mass: 1766.78
• IUPAC Name: 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile
• SMILES: Cc1cc2c(cc1C#N)c(-c1cccc(C)c1C)c(C)n2CCCO.Cc1cccc(-c2cn(C3CCC(O)CC3)c3cc(F)c(C#N)cc23)c1C.Cc1cncc(-c2c(C)n(CCCO)c3cc(C)c(C#N)cc23)c1.[C-]#[N+]c1cc2c(-c3cncc(C)c3Cl)c(C)n(CCCO)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(C)c3Cl)cn(-c3ccc(C(N)=O)cc3)c2cc1C
• InChI: InChI=1S/C23H17ClN4O.C23H23FN2O.C22H24N2O.C20H20ClN3O.C20H21N3O/c1-13-8-21-17(9-20(13)26-3)19(18-11-27-10-14(2)22(18)24)12-28(21)16-6-4-15(5-7-16)23(25)29;1-14-4-3-5-19(15(14)2)21-13-26(17-6-8-18(27)9-7-17)23-11-22(24)16(12-25)10-20(21)23;1-14-7-5-8-19(16(14)3)22-17(4)24(9-6-10-25)21-11-15(2)18(13-23)12-20(21)22;1-12-8-18-15(9-17(12)22-4)19(14(3)24(18)6-5-7-25)16-11-23-10-13(2)20(16)21;1-13-7-17(12-22-11-13)20-15(3)23(5-4-6-24)19-8-14(2)16(10-21)9-18(19)20/h4-12H,1-2H3,(H2,25,29);3-5,10-11,13,17-18,27H,6-9H2,1-2H3;5,7-8,11-12,25H,6,9-10H2,1-4H3;8-11,25H,5-7H2,1-3H3;7-9,11-12,24H,4-6H2,1-3H3
• InChIKey: GNQJYBDPAMWKJB-UHFFFAOYSA-N
• XLogP: 24.92
• TPSA: 267.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.02
LogP ≤ 5	24.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile?

The IUPAC name of 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile (CID 158310681) is 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile.

What is the SMILES notation for 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile?

The canonical SMILES for 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cccc(C)c1C)c(C)n2CCCO.Cc1cccc(-c2cn(C3CCC(O)CC3)c3cc(F)c(C#N)cc23)c1C.Cc1cncc(-c2c(C)n(CCCO)c3cc(C)c(C#N)cc23)c1.[C-]#[N+]c1cc2c(-c3cncc(C)c3Cl)c(C)n(CCCO)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(C)c3Cl)cn(-c3ccc(C(N)=O)cc3)c2cc1C.

What is the InChIKey of 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile?

The InChIKey is GNQJYBDPAMWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O.C23H23FN2O.C22H24N2O.C20H20ClN3O.C20H21N3O/c1-13-8-21-17(9-20(13)26-3)19(18-11-27-10-14(2)22(18)24)12-28(21)16-6-4-15(5-7-16)23(25)29;1-14-4-3-5-19(15(14)2)21-13-26(17-6-8-18(27)9-7-17)23-11-22(24)16(12-25)10-20(21)23;1-14-7-5-8-19(16(14)3)22-17(4)24(9-6-10-25)21-11-15(2)18(13-23)12-20(21)22;1-12-8-18-15(9-17(12)22-4)19(14(3)24(18)6-5-7-25)16-11-23-10-13(2)20(16)21;1-13-7-17(12-22-11-13)20-15(3)23(5-4-6-24)19-8-14(2)16(10-21)9-18(19)20/h4-12H,1-2H3,(H2,25,29);3-5,10-11,13,17-18,27H,6-9H2,1-2H3;5,7-8,11-12,25H,6,9-10H2,1-4H3;8-11,25H,5-7H2,1-3H3;7-9,11-12,24H,4-6H2,1-3H3.

What are the key properties of 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile?

3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile has a molecular weight of 1769.02 g/mol, XLogP of 24.92, 17 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-2,6-dimethylindol-1-yl]propan-1-ol;4-[3-(4-chloro-5-methyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzamide;3-(2,3-dimethylphenyl)-6-fluoro-1-(4-hydroxycyclohexyl)indole-5-carbonitrile;3-(2,3-dimethylphenyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-5-carbonitrile;1-(3-hydroxypropyl)-2,6-dimethyl-3-(5-methyl-3-pyridinyl)indole-5-carbonitrile is sourced from PubChem (CID 158310681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).