lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride

C129H130Cl5F8LiN18O21 — CID 158925694

About lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride

lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride (PubChem CID 158925694) has the molecular formula C129H130Cl5F8LiN18O21 and a molecular weight of 2604.75 g/mol. Its IUPAC name is lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride
• PubChem CID: 158925694
• Molecular Formula: C129H130Cl5F8LiN18O21
• Molecular Weight: 2604.75 g/mol
• Exact Mass: 2600.81
• IUPAC Name: lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride
• SMILES: CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(C(=O)CO)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(C)CCC(=O)Nc1cccc(-c2ccccc2Cl)c1F.COC(=O)c1ccc2c(c1)c(C(C)=O)nn2CC(=O)O.Cl.FC1(F)CCCNC1.[Li+].[OH-]
• InChI: InChI=1S/C34H34ClF3N6O4.C30H28ClFN4O5.C29H26ClFN4O5.C18H19ClFNO.C13H12N2O5.C5H9F2N.ClH.Li.H2O/c1-20(2)43(17-29(46)40-27-11-6-9-24(31(27)36)23-8-4-5-10-26(23)35)30(47)18-44-28-13-12-22(16-25(28)32(41-44)21(3)45)39-33(48)42-15-7-14-34(37,38)19-42;1-17(2)35(14-27(40)33-24-10-6-8-21(29(24)32)20-7-4-5-9-23(20)31)28(41)15-36-25-12-11-19(26(39)16-37)13-22(25)30(34-36)18(3)38;1-16(2)34(14-25(37)32-23-10-6-8-20(27(23)31)19-7-4-5-9-22(19)30)26(38)15-35-24-12-11-18(29(39)40)13-21(24)28(33-35)17(3)36;1-12(2)10-11-17(22)21-16-9-5-7-14(18(16)20)13-6-3-4-8-15(13)19;1-7(16)12-9-5-8(13(19)20-2)3-4-10(9)15(14-12)6-11(17)18;6-5(7)2-1-3-8-4-5;;;/h4-6,8-13,16,20H,7,14-15,17-19H2,1-3H3,(H,39,48)(H,40,46);4-13,17,37H,14-16H2,1-3H3,(H,33,40);4-13,16H,14-15H2,1-3H3,(H,32,37)(H,39,40);3-9,12H,10-11H2,1-2H3,(H,21,22);3-5H,6H2,1-2H3,(H,17,18);8H,1-4H2;1H;;1H2/q;;;;;;;+1;/p-1
• InChIKey: CPDZZIVQLMTGRI-UHFFFAOYSA-M
• XLogP: 21.74
• TPSA: 529.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2604.75
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride?

The IUPAC name of lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride (CID 158925694) is lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride.

What is the SMILES notation for lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride?

The canonical SMILES for lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride is CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(C(=O)CO)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CC(C)CCC(=O)Nc1cccc(-c2ccccc2Cl)c1F.COC(=O)c1ccc2c(c1)c(C(C)=O)nn2CC(=O)O.Cl.FC1(F)CCCNC1.[Li+].[OH-].

What is the InChIKey of lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride?

The InChIKey is CPDZZIVQLMTGRI-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H34ClF3N6O4.C30H28ClFN4O5.C29H26ClFN4O5.C18H19ClFNO.C13H12N2O5.C5H9F2N.ClH.Li.H2O/c1-20(2)43(17-29(46)40-27-11-6-9-24(31(27)36)23-8-4-5-10-26(23)35)30(47)18-44-28-13-12-22(16-25(28)32(41-44)21(3)45)39-33(48)42-15-7-14-34(37,38)19-42;1-17(2)35(14-27(40)33-24-10-6-8-21(29(24)32)20-7-4-5-9-23(20)31)28(41)15-36-25-12-11-19(26(39)16-37)13-22(25)30(34-36)18(3)38;1-16(2)34(14-25(37)32-23-10-6-8-20(27(23)31)19-7-4-5-9-22(19)30)26(38)15-35-24-12-11-18(29(39)40)13-21(24)28(33-35)17(3)36;1-12(2)10-11-17(22)21-16-9-5-7-14(18(16)20)13-6-3-4-8-15(13)19;1-7(16)12-9-5-8(13(19)20-2)3-4-10(9)15(14-12)6-11(17)18;6-5(7)2-1-3-8-4-5;;;/h4-6,8-13,16,20H,7,14-15,17-19H2,1-3H3,(H,39,48)(H,40,46);4-13,17,37H,14-16H2,1-3H3,(H,33,40);4-13,16H,14-15H2,1-3H3,(H,32,37)(H,39,40);3-9,12H,10-11H2,1-2H3,(H,21,22);3-5H,6H2,1-2H3,(H,17,18);8H,1-4H2;1H;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride?

lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride has a molecular weight of 2604.75 g/mol, XLogP of 21.74, 37 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-methoxycarbonylindazol-1-yl)acetic acid;N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-methylpentanamide;3,3-difluoropiperidine;hydroxide;hydrochloride is sourced from PubChem (CID 158925694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).