lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide

C179H200BrLiN30O17 — CID 167564398

IUPAClithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide
SMILESBrc1cccc2ccccc12.C.C=CC(=O)N1CCN(c2cc(C(=O)NCCN(C)C)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CN(c1cccc3ccccc13)CC2.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CNCC2.CN(C)CCN.N#CC[C@@H]1CCCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C1.N#CC[C@@H]1CCCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C1.[Li+].[OH-]
InChIInChI=1S/C32H37N7O2.C28H27N5O3.C28H30N4O2.2C26H26N4O2.C18H24N4O2.C10H7Br.C6H6O3.C4H12N2.CH4.Li.H2O/c1-4-31(40)39-19-18-38(21-24(39)12-14-33)30-20-27(32(41)34-15-17-36(2)3)35-28-22-37(16-13-26(28)30)29-11-7-9-23-8-5-6-10-25(23)29;1-2-27(34)33-15-14-32(17-20(33)10-12-29)26-16-23(28(35)36)30-24-18-31(13-11-22(24)26)25-9-5-7-19-6-3-4-8-21(19)25;1-2-34-28(33)24-17-27(31-15-6-7-20(18-31)12-14-29)23-13-16-32(19-25(23)30-24)26-11-5-9-21-8-3-4-10-22(21)26;2*27-12-10-18-5-4-13-29(16-18)25-15-22(26(31)32)28-23-17-30(14-11-21(23)25)24-9-3-7-19-6-1-2-8-20(19)24;1-2-24-18(23)15-10-17(14-6-8-20-11-16(14)21-15)22-9-3-4-13(12-22)5-7-19;11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5(7)9-6(8)4-2;1-6(2)4-3-5;;;/h4-11,20,24H,1,12-13,15-19,21-22H2,2-3H3,(H,34,41);2-9,16,20H,1,10-11,13-15,17-18H2,(H,35,36);3-5,8-11,17,20H,2,6-7,12-13,15-16,18-19H2,1H3;2*1-3,6-9,15,18H,4-5,10-11,13-14,16-17H2,(H,31,32);10,13,20H,2-6,8-9,11-12H2,1H3;1-7H;3-4H,1-2H2;3-5H2,1-2H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1/t24-;2*20-;2*18-;13-;;;;;;/m000000....../s1
InChIKeyFBZBIFKELCZKLE-OYUJUJGDSA-M
MW3130.61 g/mol
LogP24.21
Rot. Bonds34

About lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide

lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide (PubChem CID 167564398) has the molecular formula C179H200BrLiN30O17 and a molecular weight of 3130.61 g/mol. Its IUPAC name is lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide.

Molecular Properties

Compound Namelithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide
PubChem CID167564398
Molecular FormulaC179H200BrLiN30O17
Molecular Weight3130.61 g/mol
Exact Mass3127.51
IUPAC Namelithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide
SMILESBrc1cccc2ccccc12.C.C=CC(=O)N1CCN(c2cc(C(=O)NCCN(C)C)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CN(c1cccc3ccccc13)CC2.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CNCC2.CN(C)CCN.N#CC[C@@H]1CCCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C1.N#CC[C@@H]1CCCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C1.[Li+].[OH-]
InChIInChI=1S/C32H37N7O2.C28H27N5O3.C28H30N4O2.2C26H26N4O2.C18H24N4O2.C10H7Br.C6H6O3.C4H12N2.CH4.Li.H2O/c1-4-31(40)39-19-18-38(21-24(39)12-14-33)30-20-27(32(41)34-15-17-36(2)3)35-28-22-37(16-13-26(28)30)29-11-7-9-23-8-5-6-10-25(23)29;1-2-27(34)33-15-14-32(17-20(33)10-12-29)26-16-23(28(35)36)30-24-18-31(13-11-22(24)26)25-9-5-7-19-6-3-4-8-21(19)25;1-2-34-28(33)24-17-27(31-15-6-7-20(18-31)12-14-29)23-13-16-32(19-25(23)30-24)26-11-5-9-21-8-3-4-10-22(21)26;2*27-12-10-18-5-4-13-29(16-18)25-15-22(26(31)32)28-23-17-30(14-11-21(23)25)24-9-3-7-19-6-1-2-8-20(19)24;1-2-24-18(23)15-10-17(14-6-8-20-11-16(14)21-15)22-9-3-4-13(12-22)5-7-19;11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5(7)9-6(8)4-2;1-6(2)4-3-5;;;/h4-11,20,24H,1,12-13,15-19,21-22H2,2-3H3,(H,34,41);2-9,16,20H,1,10-11,13-15,17-18H2,(H,35,36);3-5,8-11,17,20H,2,6-7,12-13,15-16,18-19H2,1H3;2*1-3,6-9,15,18H,4-5,10-11,13-14,16-17H2,(H,31,32);10,13,20H,2-6,8-9,11-12H2,1H3;1-7H;3-4H,1-2H2;3-5H2,1-2H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1/t24-;2*20-;2*18-;13-;;;;;;/m000000....../s1
InChIKeyFBZBIFKELCZKLE-OYUJUJGDSA-M
XLogP24.21
TPSA607.84 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003130.61
LogP ≤ 524.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide?
The IUPAC name of lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide (CID 167564398) is lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide.
What is the SMILES notation for lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide?
The canonical SMILES for lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide is Brc1cccc2ccccc12.C.C=CC(=O)N1CCN(c2cc(C(=O)NCCN(C)C)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CN(c1cccc3ccccc13)CC2.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CNCC2.CN(C)CCN.N#CC[C@@H]1CCCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C1.N#CC[C@@H]1CCCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)C1.[Li+].[OH-].
What is the InChIKey of lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide?
The InChIKey is FBZBIFKELCZKLE-OYUJUJGDSA-M. The full InChI is InChI=1S/C32H37N7O2.C28H27N5O3.C28H30N4O2.2C26H26N4O2.C18H24N4O2.C10H7Br.C6H6O3.C4H12N2.CH4.Li.H2O/c1-4-31(40)39-19-18-38(21-24(39)12-14-33)30-20-27(32(41)34-15-17-36(2)3)35-28-22-37(16-13-26(28)30)29-11-7-9-23-8-5-6-10-25(23)29;1-2-27(34)33-15-14-32(17-20(33)10-12-29)26-16-23(28(35)36)30-24-18-31(13-11-22(24)26)25-9-5-7-19-6-3-4-8-21(19)25;1-2-34-28(33)24-17-27(31-15-6-7-20(18-31)12-14-29)23-13-16-32(19-25(23)30-24)26-11-5-9-21-8-3-4-10-22(21)26;2*27-12-10-18-5-4-13-29(16-18)25-15-22(26(31)32)28-23-17-30(14-11-21(23)25)24-9-3-7-19-6-1-2-8-20(19)24;1-2-24-18(23)15-10-17(14-6-8-20-11-16(14)21-15)22-9-3-4-13(12-22)5-7-19;11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5(7)9-6(8)4-2;1-6(2)4-3-5;;;/h4-11,20,24H,1,12-13,15-19,21-22H2,2-3H3,(H,34,41);2-9,16,20H,1,10-11,13-15,17-18H2,(H,35,36);3-5,8-11,17,20H,2,6-7,12-13,15-16,18-19H2,1H3;2*1-3,6-9,15,18H,4-5,10-11,13-14,16-17H2,(H,31,32);10,13,20H,2-6,8-9,11-12H2,1H3;1-7H;3-4H,1-2H2;3-5H2,1-2H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1/t24-;2*20-;2*18-;13-;;;;;;/m000000....../s1.
What are the key properties of lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide?
lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide has a molecular weight of 3130.61 g/mol, XLogP of 24.21, 34 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-bromonaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;N',N'-dimethylethane-1,2-diamine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-naphthalen-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;prop-2-enoyl prop-2-enoate;hydroxide is sourced from PubChem (CID 167564398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).