lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide

C142H157BrCl2LiN21O18S3 — CID 163565026

About lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide

lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide (PubChem CID 163565026) has the molecular formula C142H157BrCl2LiN21O18S3 and a molecular weight of 2699.90 g/mol. Its IUPAC name is lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide
• PubChem CID: 163565026
• Molecular Formula: C142H157BrCl2LiN21O18S3
• Molecular Weight: 2699.90 g/mol
• Exact Mass: 2695.99
• IUPAC Name: lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide
• SMILES: CC(C)=C(Cl)N(C)C.CC(C)=C(Cl)N(C)C.CCOC(=O)c1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(NC(=O)c4cc(C)cnc4N4CC5(CCOCC5)C4)cc3)[C@H]2C)s1.Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3c4ccccc4N=C(c4ccc(Br)s4)[C@@H]3C)cc2)c1.Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3c4ccccc4N=C(c4ccc(C(=O)O)s4)[C@@H]3C)cc2)c1.Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)O)cc2)c1.NC1CC1.[Li+].[OH-]
• InChI: InChI=1S/C37H37N5O5S.C35H33N5O5S.C34H32BrN5O3S.C21H23N3O4.2C6H12ClN.C3H7N.Li.H2O/c1-4-47-36(45)31-14-13-30(48-31)32-24(3)42(29-8-6-5-7-28(29)40-32)35(44)25-9-11-26(12-10-25)39-34(43)27-19-23(2)20-38-33(27)41-21-37(22-41)15-17-46-18-16-37;1-21-17-25(31(36-18-21)39-19-35(20-39)13-15-45-16-14-35)32(41)37-24-9-7-23(8-10-24)33(42)40-22(2)30(28-11-12-29(46-28)34(43)44)38-26-5-3-4-6-27(26)40;1-21-17-25(31(36-18-21)39-19-34(20-39)13-15-43-16-14-34)32(41)37-24-9-7-23(8-10-24)33(42)40-22(2)30(28-11-12-29(35)44-28)38-26-5-3-4-6-27(26)40;1-14-10-17(19(25)23-16-4-2-15(3-5-16)20(26)27)18(22-11-14)24-12-21(13-24)6-8-28-9-7-21;2*1-5(2)6(7)8(3)4;4-3-1-2-3;;/h5-14,19-20,24H,4,15-18,21-22H2,1-3H3,(H,39,43);3-12,17-18,22H,13-16,19-20H2,1-2H3,(H,37,41)(H,43,44);3-12,17-18,22H,13-16,19-20H2,1-2H3,(H,37,41);2-5,10-11H,6-9,12-13H2,1H3,(H,23,25)(H,26,27);2*1-4H3;3H,1-2,4H2;;1H2/q;;;;;;;+1;/p-1/t24-;2*22-;;;;;;/m000....../s1
• InChIKey: FULVEJWVSXNBPS-FAYKUMRDSA-M
• XLogP: 24.08
• TPSA: 479.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2699.90
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide?

The IUPAC name of lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide (CID 163565026) is lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide.

What is the SMILES notation for lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide?

The canonical SMILES for lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide is CC(C)=C(Cl)N(C)C.CC(C)=C(Cl)N(C)C.CCOC(=O)c1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(NC(=O)c4cc(C)cnc4N4CC5(CCOCC5)C4)cc3)[C@H]2C)s1.Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3c4ccccc4N=C(c4ccc(Br)s4)[C@@H]3C)cc2)c1.Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3c4ccccc4N=C(c4ccc(C(=O)O)s4)[C@@H]3C)cc2)c1.Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)O)cc2)c1.NC1CC1.[Li+].[OH-].

What is the InChIKey of lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide?

The InChIKey is FULVEJWVSXNBPS-FAYKUMRDSA-M. The full InChI is InChI=1S/C37H37N5O5S.C35H33N5O5S.C34H32BrN5O3S.C21H23N3O4.2C6H12ClN.C3H7N.Li.H2O/c1-4-47-36(45)31-14-13-30(48-31)32-24(3)42(29-8-6-5-7-28(29)40-32)35(44)25-9-11-26(12-10-25)39-34(43)27-19-23(2)20-38-33(27)41-21-37(22-41)15-17-46-18-16-37;1-21-17-25(31(36-18-21)39-19-35(20-39)13-15-45-16-14-35)32(41)37-24-9-7-23(8-10-24)33(42)40-22(2)30(28-11-12-29(46-28)34(43)44)38-26-5-3-4-6-27(26)40;1-21-17-25(31(36-18-21)39-19-34(20-39)13-15-43-16-14-34)32(41)37-24-9-7-23(8-10-24)33(42)40-22(2)30(28-11-12-29(35)44-28)38-26-5-3-4-6-27(26)40;1-14-10-17(19(25)23-16-4-2-15(3-5-16)20(26)27)18(22-11-14)24-12-21(13-24)6-8-28-9-7-21;2*1-5(2)6(7)8(3)4;4-3-1-2-3;;/h5-14,19-20,24H,4,15-18,21-22H2,1-3H3,(H,39,43);3-12,17-18,22H,13-16,19-20H2,1-2H3,(H,37,41)(H,43,44);3-12,17-18,22H,13-16,19-20H2,1-2H3,(H,37,41);2-5,10-11H,6-9,12-13H2,1H3,(H,23,25)(H,26,27);2*1-4H3;3H,1-2,4H2;;1H2/q;;;;;;;+1;/p-1/t24-;2*22-;;;;;;/m000....../s1.

What are the key properties of lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide?

lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide has a molecular weight of 2699.90 g/mol, XLogP of 24.08, 24 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-[4-[(2S)-3-(5-bromothiophen-2-yl)-2-methyl-2H-quinoxaline-1-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide;bis(1-chloro-N,N,2-trimethylprop-1-en-1-amine);cyclopropanamine;ethyl 5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylate;5-[(3S)-3-methyl-4-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-3H-quinoxalin-2-yl]thiophene-2-carboxylic acid;4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoic acid;hydroxide is sourced from PubChem (CID 163565026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).