lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate

C247H309BrCl7LiN39O23P — CID 167703992

IUPAClithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate
SMILESC.C.C.C=CC(=O)Cl.C=CC(=O)N1CCN(c2c(C)c(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.CCOC(=O)C(=O)CC.CCOC(=O)c1nc2c(c(Cl)c1C)CCN(c1cccc3cccc(C)c13)C2.CCOC(=O)c1nc2c(c(Cl)c1C)CCNC2.CCOC(=O)c1nc2c(c(N3CCC[C@@H](CC#N)C3)c1C)CCN(c1cccc3cccc(C)c13)C2.CCOC(=O)c1nc2cnccc2c(Cl)c1C.C[C@@H](N)CN(C)C.Cc1c(C(=O)N[C@H](C)CN(C)C)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1c(C(=O)N[C@H](C)CN(C)C)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1c(C(=O)O)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1cccc2cccc(Br)c12.N#CC[C@@H]1CCCNC1.Nc1cnccc1C(=O)O.O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C35H43N7O2.2C33H42N6O.C30H34N4O2.C28H30N4O2.C23H23ClN2O2.C12H15ClN2O2.C12H11ClN2O2.C11H9Br.C7H12N2.C6H6N2O2.C6H10O3.C5H14N2.C3H3ClO.3CH4.Cl3OP.Li.2H2O/c1-7-31(43)42-19-18-41(21-27(42)14-16-36)34-25(4)33(35(44)37-24(3)20-39(5)6)38-29-22-40(17-15-28(29)34)30-13-9-12-26-11-8-10-23(2)32(26)30;2*1-22-9-6-11-26-12-7-13-29(30(22)26)38-18-15-27-28(21-38)36-31(33(40)35-23(2)19-37(4)5)24(3)32(27)39-17-8-10-25(20-39)14-16-34;1-4-36-30(35)28-21(3)29(34-16-7-9-22(18-34)13-15-31)24-14-17-33(19-25(24)32-28)26-12-6-11-23-10-5-8-20(2)27(23)26;1-18-6-3-8-21-9-4-10-24(25(18)21)31-15-12-22-23(17-31)30-26(28(33)34)19(2)27(22)32-14-5-7-20(16-32)11-13-29;1-4-28-23(27)22-15(3)21(24)17-11-12-26(13-18(17)25-22)19-10-6-9-16-8-5-7-14(2)20(16)19;2*1-3-17-12(16)11-7(2)10(13)8-4-5-14-6-9(8)15-11;1-8-4-2-5-9-6-3-7-10(12)11(8)9;8-4-3-7-2-1-5-9-6-7;7-5-3-8-2-1-4(5)6(9)10;1-3-5(7)6(8)9-4-2;1-5(6)4-7(2)3;1-2-3(4)5;;;;1-5(2,3)4;;;/h7-13,24,27H,1,14-15,17-22H2,2-6H3,(H,37,44);2*6-7,9,11-13,23,25H,8,10,14-15,17-21H2,1-5H3,(H,35,40);5-6,8,10-12,22H,4,7,9,13-14,16-19H2,1-3H3;3-4,6,8-10,20H,5,7,11-12,14-17H2,1-2H3,(H,33,34);5-10H,4,11-13H2,1-3H3;14H,3-6H2,1-2H3;4-6H,3H2,1-2H3;2-7H,1H3;7,9H,1-3,5-6H2;1-3H,7H2,(H,9,10);3-4H2,1-2H3;5H,4,6H2,1-3H3;2H,1H2;3*1H4;;;2*1H2/q;;;;;;;;;;;;;;;;;;+1;;/p-1/t24-,27+;2*23-,25+;22-;20-;;;;;7-;;;5-;;;;;;;;/m11100....0..1......../s1
InChIKeyDJOSRFIXLIKMME-XZUQTFEESA-M
MW4558.43 g/mol
LogP42.76
Rot. Bonds46

About lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate

lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate (PubChem CID 167703992) has the molecular formula C247H309BrCl7LiN39O23P and a molecular weight of 4558.43 g/mol. Its IUPAC name is lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate
PubChem CID167703992
Molecular FormulaC247H309BrCl7LiN39O23P
Molecular Weight4558.43 g/mol
Exact Mass4551.11
IUPAC Namelithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate
SMILESC.C.C.C=CC(=O)Cl.C=CC(=O)N1CCN(c2c(C)c(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.CCOC(=O)C(=O)CC.CCOC(=O)c1nc2c(c(Cl)c1C)CCN(c1cccc3cccc(C)c13)C2.CCOC(=O)c1nc2c(c(Cl)c1C)CCNC2.CCOC(=O)c1nc2c(c(N3CCC[C@@H](CC#N)C3)c1C)CCN(c1cccc3cccc(C)c13)C2.CCOC(=O)c1nc2cnccc2c(Cl)c1C.C[C@@H](N)CN(C)C.Cc1c(C(=O)N[C@H](C)CN(C)C)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1c(C(=O)N[C@H](C)CN(C)C)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1c(C(=O)O)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1cccc2cccc(Br)c12.N#CC[C@@H]1CCCNC1.Nc1cnccc1C(=O)O.O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C35H43N7O2.2C33H42N6O.C30H34N4O2.C28H30N4O2.C23H23ClN2O2.C12H15ClN2O2.C12H11ClN2O2.C11H9Br.C7H12N2.C6H6N2O2.C6H10O3.C5H14N2.C3H3ClO.3CH4.Cl3OP.Li.2H2O/c1-7-31(43)42-19-18-41(21-27(42)14-16-36)34-25(4)33(35(44)37-24(3)20-39(5)6)38-29-22-40(17-15-28(29)34)30-13-9-12-26-11-8-10-23(2)32(26)30;2*1-22-9-6-11-26-12-7-13-29(30(22)26)38-18-15-27-28(21-38)36-31(33(40)35-23(2)19-37(4)5)24(3)32(27)39-17-8-10-25(20-39)14-16-34;1-4-36-30(35)28-21(3)29(34-16-7-9-22(18-34)13-15-31)24-14-17-33(19-25(24)32-28)26-12-6-11-23-10-5-8-20(2)27(23)26;1-18-6-3-8-21-9-4-10-24(25(18)21)31-15-12-22-23(17-31)30-26(28(33)34)19(2)27(22)32-14-5-7-20(16-32)11-13-29;1-4-28-23(27)22-15(3)21(24)17-11-12-26(13-18(17)25-22)19-10-6-9-16-8-5-7-14(2)20(16)19;2*1-3-17-12(16)11-7(2)10(13)8-4-5-14-6-9(8)15-11;1-8-4-2-5-9-6-3-7-10(12)11(8)9;8-4-3-7-2-1-5-9-6-7;7-5-3-8-2-1-4(5)6(9)10;1-3-5(7)6(8)9-4-2;1-5(6)4-7(2)3;1-2-3(4)5;;;;1-5(2,3)4;;;/h7-13,24,27H,1,14-15,17-22H2,2-6H3,(H,37,44);2*6-7,9,11-13,23,25H,8,10,14-15,17-21H2,1-5H3,(H,35,40);5-6,8,10-12,22H,4,7,9,13-14,16-19H2,1-3H3;3-4,6,8-10,20H,5,7,11-12,14-17H2,1-2H3,(H,33,34);5-10H,4,11-13H2,1-3H3;14H,3-6H2,1-2H3;4-6H,3H2,1-2H3;2-7H,1H3;7,9H,1-3,5-6H2;1-3H,7H2,(H,9,10);3-4H2,1-2H3;5H,4,6H2,1-3H3;2H,1H2;3*1H4;;;2*1H2/q;;;;;;;;;;;;;;;;;;+1;;/p-1/t24-,27+;2*23-,25+;22-;20-;;;;;7-;;;5-;;;;;;;;/m11100....0..1......../s1
InChIKeyDJOSRFIXLIKMME-XZUQTFEESA-M
XLogP42.76
TPSA822.76 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds46
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004558.43
LogP ≤ 542.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Analyze lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate?
The IUPAC name of lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate (CID 167703992) is lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate.
What is the SMILES notation for lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate?
The canonical SMILES for lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate is C.C.C.C=CC(=O)Cl.C=CC(=O)N1CCN(c2c(C)c(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.CCOC(=O)C(=O)CC.CCOC(=O)c1nc2c(c(Cl)c1C)CCN(c1cccc3cccc(C)c13)C2.CCOC(=O)c1nc2c(c(Cl)c1C)CCNC2.CCOC(=O)c1nc2c(c(N3CCC[C@@H](CC#N)C3)c1C)CCN(c1cccc3cccc(C)c13)C2.CCOC(=O)c1nc2cnccc2c(Cl)c1C.C[C@@H](N)CN(C)C.Cc1c(C(=O)N[C@H](C)CN(C)C)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1c(C(=O)N[C@H](C)CN(C)C)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1c(C(=O)O)nc2c(c1N1CCC[C@@H](CC#N)C1)CCN(c1cccc3cccc(C)c13)C2.Cc1cccc2cccc(Br)c12.N#CC[C@@H]1CCCNC1.Nc1cnccc1C(=O)O.O.O=P(Cl)(Cl)Cl.[Li+].[OH-].
What is the InChIKey of lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate?
The InChIKey is DJOSRFIXLIKMME-XZUQTFEESA-M. The full InChI is InChI=1S/C35H43N7O2.2C33H42N6O.C30H34N4O2.C28H30N4O2.C23H23ClN2O2.C12H15ClN2O2.C12H11ClN2O2.C11H9Br.C7H12N2.C6H6N2O2.C6H10O3.C5H14N2.C3H3ClO.3CH4.Cl3OP.Li.2H2O/c1-7-31(43)42-19-18-41(21-27(42)14-16-36)34-25(4)33(35(44)37-24(3)20-39(5)6)38-29-22-40(17-15-28(29)34)30-13-9-12-26-11-8-10-23(2)32(26)30;2*1-22-9-6-11-26-12-7-13-29(30(22)26)38-18-15-27-28(21-38)36-31(33(40)35-23(2)19-37(4)5)24(3)32(27)39-17-8-10-25(20-39)14-16-34;1-4-36-30(35)28-21(3)29(34-16-7-9-22(18-34)13-15-31)24-14-17-33(19-25(24)32-28)26-12-6-11-23-10-5-8-20(2)27(23)26;1-18-6-3-8-21-9-4-10-24(25(18)21)31-15-12-22-23(17-31)30-26(28(33)34)19(2)27(22)32-14-5-7-20(16-32)11-13-29;1-4-28-23(27)22-15(3)21(24)17-11-12-26(13-18(17)25-22)19-10-6-9-16-8-5-7-14(2)20(16)19;2*1-3-17-12(16)11-7(2)10(13)8-4-5-14-6-9(8)15-11;1-8-4-2-5-9-6-3-7-10(12)11(8)9;8-4-3-7-2-1-5-9-6-7;7-5-3-8-2-1-4(5)6(9)10;1-3-5(7)6(8)9-4-2;1-5(6)4-7(2)3;1-2-3(4)5;;;;1-5(2,3)4;;;/h7-13,24,27H,1,14-15,17-22H2,2-6H3,(H,37,44);2*6-7,9,11-13,23,25H,8,10,14-15,17-21H2,1-5H3,(H,35,40);5-6,8,10-12,22H,4,7,9,13-14,16-19H2,1-3H3;3-4,6,8-10,20H,5,7,11-12,14-17H2,1-2H3,(H,33,34);5-10H,4,11-13H2,1-3H3;14H,3-6H2,1-2H3;4-6H,3H2,1-2H3;2-7H,1H3;7,9H,1-3,5-6H2;1-3H,7H2,(H,9,10);3-4H2,1-2H3;5H,4,6H2,1-3H3;2H,1H2;3*1H4;;;2*1H2/q;;;;;;;;;;;;;;;;;;+1;;/p-1/t24-,27+;2*23-,25+;22-;20-;;;;;7-;;;5-;;;;;;;;/m11100....0..1......../s1.
What are the key properties of lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate?
lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate has a molecular weight of 4558.43 g/mol, XLogP of 42.76, 46 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-aminopyridine-4-carboxylic acid;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide);4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 4-chloro-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-1,7-naphthyridine-2-carboxylate;ethyl 4-chloro-3-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-3-methyl-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 2-oxobutanoate;methane;phosphoryl trichloride;2-[(3S)-piperidin-3-yl]acetonitrile;prop-2-enoyl chloride;hydroxide;hydrate is sourced from PubChem (CID 167703992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).