lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide

C117H122Cl4F4LiN15O21 — CID 157055867

About lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide

lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide (PubChem CID 157055867) has the molecular formula C117H122Cl4F4LiN15O21 and a molecular weight of 2299.09 g/mol. Its IUPAC name is lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide.

Molecular Properties

• Compound Name: lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide
• PubChem CID: 157055867
• Molecular Formula: C117H122Cl4F4LiN15O21
• Molecular Weight: 2299.09 g/mol
• Exact Mass: 2295.78
• IUPAC Name: lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide
• SMILES: C.C.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.CC(=O)c1cn(CC(=O)O)c2ccc(C)cc12.NCc1ccccn1.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.[Li+].[OH-]
• InChI: InChI=1S/C31H29ClFN5O4.C25H25ClFN3O3.C24H23ClFN3O3.C13H15ClFNO.C13H13NO3.C6H8N2.3CO2.2CH4.Li.H2O/c1-19(39)25-16-37(27-11-8-20(13-24(25)27)31(42)36-15-22-6-2-3-12-34-22)18-29(41)38(23-9-10-23)17-28(40)35-14-21-5-4-7-26(32)30(21)33;1-15-6-9-22-19(10-15)20(16(2)31)12-29(22)14-24(33)30(18-7-8-18)13-23(32)28-11-17-4-3-5-21(26)25(17)27;1-15(30)19-12-28(21-8-3-2-6-18(19)21)14-23(32)29(17-9-10-17)13-22(31)27-11-16-5-4-7-20(25)24(16)26;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-8-3-4-12-10(5-8)11(9(2)15)6-14(12)7-13(16)17;7-5-6-3-1-2-4-8-6;3*2-1-3;;;;/h2-8,11-13,16,23H,9-10,14-15,17-18H2,1H3,(H,35,40)(H,36,42);3-6,9-10,12,18H,7-8,11,13-14H2,1-2H3,(H,28,32);2-8,12,17H,9-11,13-14H2,1H3,(H,27,31);1-3,9H,4-8H2,(H,16,17);3-6H,7H2,1-2H3,(H,16,17);1-4H,5,7H2;;;;2*1H4;;1H2/q;;;;;;;;;;;+1;/p-1
• InChIKey: AATBEKVPPYXYMU-UHFFFAOYSA-M
• XLogP: 14.88
• TPSA: 515.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2299.09
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide?

The IUPAC name of lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide (CID 157055867) is lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide.

What is the SMILES notation for lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide?

The canonical SMILES for lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide is C.C.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.CC(=O)c1cn(CC(=O)O)c2ccc(C)cc12.NCc1ccccn1.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.[Li+].[OH-].

What is the InChIKey of lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide?

The InChIKey is AATBEKVPPYXYMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H29ClFN5O4.C25H25ClFN3O3.C24H23ClFN3O3.C13H15ClFNO.C13H13NO3.C6H8N2.3CO2.2CH4.Li.H2O/c1-19(39)25-16-37(27-11-8-20(13-24(25)27)31(42)36-15-22-6-2-3-12-34-22)18-29(41)38(23-9-10-23)17-28(40)35-14-21-5-4-7-26(32)30(21)33;1-15-6-9-22-19(10-15)20(16(2)31)12-29(22)14-24(33)30(18-7-8-18)13-23(32)28-11-17-4-3-5-21(26)25(17)27;1-15(30)19-12-28(21-8-3-2-6-18(19)21)14-23(32)29(17-9-10-17)13-22(31)27-11-16-5-4-7-20(25)24(16)26;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-8-3-4-12-10(5-8)11(9(2)15)6-14(12)7-13(16)17;7-5-6-3-1-2-4-8-6;3*2-1-3;;;;/h2-8,11-13,16,23H,9-10,14-15,17-18H2,1H3,(H,35,40)(H,36,42);3-6,9-10,12,18H,7-8,11,13-14H2,1-2H3,(H,28,32);2-8,12,17H,9-11,13-14H2,1H3,(H,27,31);1-3,9H,4-8H2,(H,16,17);3-6H,7H2,1-2H3,(H,16,17);1-4H,5,7H2;;;;2*1H4;;1H2/q;;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide?

lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide has a molecular weight of 2299.09 g/mol, XLogP of 14.88, 36 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide is sourced from PubChem (CID 157055867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).