lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide

C106H130F9LiN18O21S5 — CID 158626488

About lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide

lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide (PubChem CID 158626488) has the molecular formula C106H130F9LiN18O21S5 and a molecular weight of 2330.57 g/mol. Its IUPAC name is lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide.

Molecular Properties

• Compound Name: lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide
• PubChem CID: 158626488
• Molecular Formula: C106H130F9LiN18O21S5
• Molecular Weight: 2330.57 g/mol
• Exact Mass: 2328.83
• IUPAC Name: lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide
• SMILES: C=CCCCCN(C)C(=O)N1CC[C@H](Oc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)C[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C=C.C=CCCCCN(C)C(=O)N1CC[C@H](Oc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)O.C=CCCCCN(C)C(=O)N1CC[C@H](Oc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)OC.C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1(C)CC1.[Li+].[OH-]
• InChI: InChI=1S/C39H47F3N6O7S2.C29H34F3N5O5S.C28H32F3N5O5S.C10H16N2O3S.Li.H2O/c1-7-9-10-11-17-47(5)36(51)48-18-14-25(19-27(48)28(49)21-38(20-24(38)8-2)35(50)46-57(52,53)37(4)15-16-37)55-33-26-12-13-29(54-6)23(3)31(26)44-32(45-33)34-43-30(22-56-34)39(40,41)42;1-6-7-8-9-13-36(3)28(39)37-14-12-18(15-20(37)27(38)41-5)42-25-19-10-11-21(40-4)17(2)23(19)34-24(35-25)26-33-22(16-43-26)29(30,31)32;1-5-6-7-8-12-35(3)27(39)36-13-11-17(14-19(36)26(37)38)41-24-18-9-10-20(40-4)16(2)22(18)33-23(34-24)25-32-21(15-42-25)28(29,30)31;1-3-7-6-10(7,11)8(13)12-16(14,15)9(2)4-5-9;;/h7-8,12-13,22,24-25,27H,1-2,9-11,14-21H2,3-6H3,(H,46,50);6,10-11,16,18,20H,1,7-9,12-15H2,2-5H3;5,9-10,15,17,19H,1,6-8,11-14H2,2-4H3,(H,37,38);3,7H,1,4-6,11H2,2H3,(H,12,13);;1H2/q;;;;+1;/p-1/t24-,25+,27+,38-;18-,20-;17-,19-;7-,10-;;/m1001../s1
• InChIKey: HYQQPFMIDDGRIV-WIXWPJPRSA-M
• XLogP: 15.25
• TPSA: 505.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.57
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide?

The IUPAC name of lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide (CID 158626488) is lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide.

What is the SMILES notation for lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide?

The canonical SMILES for lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide is C=CCCCCN(C)C(=O)N1CC[C@H](Oc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)C[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C=C.C=CCCCCN(C)C(=O)N1CC[C@H](Oc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)O.C=CCCCCN(C)C(=O)N1CC[C@H](Oc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)OC.C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1(C)CC1.[Li+].[OH-].

What is the InChIKey of lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide?

The InChIKey is HYQQPFMIDDGRIV-WIXWPJPRSA-M. The full InChI is InChI=1S/C39H47F3N6O7S2.C29H34F3N5O5S.C28H32F3N5O5S.C10H16N2O3S.Li.H2O/c1-7-9-10-11-17-47(5)36(51)48-18-14-25(19-27(48)28(49)21-38(20-24(38)8-2)35(50)46-57(52,53)37(4)15-16-37)55-33-26-12-13-29(54-6)23(3)31(26)44-32(45-33)34-43-30(22-56-34)39(40,41)42;1-6-7-8-9-13-36(3)28(39)37-14-12-18(15-20(37)27(38)41-5)42-25-19-10-11-21(40-4)17(2)23(19)34-24(35-25)26-33-22(16-43-26)29(30,31)32;1-5-6-7-8-12-35(3)27(39)36-13-11-17(14-19(36)26(37)38)41-24-18-9-10-20(40-4)16(2)22(18)33-23(34-24)25-32-21(15-42-25)28(29,30)31;1-3-7-6-10(7,11)8(13)12-16(14,15)9(2)4-5-9;;/h7-8,12-13,22,24-25,27H,1-2,9-11,14-21H2,3-6H3,(H,46,50);6,10-11,16,18,20H,1,7-9,12-15H2,2-5H3;5,9-10,15,17,19H,1,6-8,11-14H2,2-4H3,(H,37,38);3,7H,1,4-6,11H2,2H3,(H,12,13);;1H2/q;;;;+1;/p-1/t24-,25+,27+,38-;18-,20-;17-,19-;7-,10-;;/m1001../s1.

What are the key properties of lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide?

lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide has a molecular weight of 2330.57 g/mol, XLogP of 15.25, 40 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2S,4S)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy-N-methylpiperidine-1-carboxamide;(2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylic acid;methyl (2S,4S)-1-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxypiperidine-2-carboxylate;trans-(1R,2S)-1-amino-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydroxide is sourced from PubChem (CID 158626488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).