lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate

C52H57F2LiN10O7S2 — CID 161108961

About lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate

lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate (PubChem CID 161108961) has the molecular formula C52H57F2LiN10O7S2 and a molecular weight of 1043.16 g/mol. Its IUPAC name is lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate
• PubChem CID: 161108961
• Molecular Formula: C52H57F2LiN10O7S2
• Molecular Weight: 1043.16 g/mol
• Exact Mass: 1042.40
• IUPAC Name: lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate
• SMILES: O.O=C(O)c1ccc2c(c1)CCN2c1ccc(F)cc1.O=C(c1ccc2c(c1)CCN2c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.[Li+].[OH-]
• InChI: InChI=1S/C26H26FN5O2S.C15H12FNO2.C11H16N4OS.Li.2H2O/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24;16-12-2-4-13(5-3-12)17-8-7-10-9-11(15(18)19)1-6-14(10)17;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;;;/h1-6,8,14-15,22H,7,9-13,16-17H2;1-6,9H,7-8H2,(H,18,19);1,6,9,12H,2-5,7-8H2;;2*1H2/q;;;+1;;/p-1
• InChIKey: ZVPOHPQJFGMPPI-UHFFFAOYSA-M
• XLogP: 2.35
• TPSA: 210.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.16
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate?

The IUPAC name of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate (CID 161108961) is lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate.

What is the SMILES notation for lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate?

The canonical SMILES for lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate is O.O=C(O)c1ccc2c(c1)CCN2c1ccc(F)cc1.O=C(c1ccc2c(c1)CCN2c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.[Li+].[OH-].

What is the InChIKey of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate?

The InChIKey is ZVPOHPQJFGMPPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H26FN5O2S.C15H12FNO2.C11H16N4OS.Li.2H2O/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24;16-12-2-4-13(5-3-12)17-8-7-10-9-11(15(18)19)1-6-14(10)17;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;;;/h1-6,8,14-15,22H,7,9-13,16-17H2;1-6,9H,7-8H2,(H,18,19);1,6,9,12H,2-5,7-8H2;;2*1H2/q;;;+1;;/p-1.

What are the key properties of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate?

lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate has a molecular weight of 1043.16 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;hydroxide;hydrate is sourced from PubChem (CID 161108961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).