About tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine
tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine (PubChem CID 158191376) has the molecular formula C160H154Cl5F5N28O13Si
and a molecular weight of 2977.52 g/mol. Its IUPAC name is tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine?
The IUPAC name of tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine (CID 158191376) is tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine.
What is the SMILES notation for tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine?
The canonical SMILES for tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine is C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(CN(C)C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.CC(C)c1nccc(C=O)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21.CC(C)c1nccc(CN(C)C)c1-n1c(=O)c(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(-c3ccccc3F)nc21.CC(C)c1nccc(CN(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21.CC(C)c1nccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(-c3ccccc3F)nc21.CNC.
What is the InChIKey of tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine?
The InChIKey is FZUHYMRGNWHOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36ClFN4O3Si.C35H39ClFN7O3.C33H33ClFN7O2.C26H23ClFN5O2.C24H16ClFN4O3.C2H7N/c1-25(2)34-36(46-38-30(37(47)31(23-43)39(46)48)22-32(41)35(45-38)29-18-12-13-19-33(29)42)26(20-21-44-34)24-49-50(40(3,4)5,27-14-8-6-9-15-27)28-16-10-7-11-17-28;1-21(2)28-30(22(12-13-39-28)20-41(6)7)44-32-24(18-26(36)29(40-32)23-10-8-9-11-27(23)37)31(25(19-38)33(44)45)42-14-16-43(17-15-42)34(46)47-35(3,4)5;1-6-27(43)40-13-15-41(16-14-40)31-23-17-25(34)29(22-9-7-8-10-26(22)35)38-32(23)42(33(44)24(31)18-36)30-21(19-39(4)5)11-12-37-28(30)20(2)3;1-14(2)21-23(15(9-10-30-21)13-32(3)4)33-25-17(24(34)18(12-29)26(33)35)11-19(27)22(31-25)16-7-5-6-8-20(16)28;1-12(2)19-21(13(11-31)7-8-28-19)30-23-15(22(32)16(10-27)24(30)33)9-17(25)20(29-23)14-5-3-4-6-18(14)26;1-3-2/h6-22,25,47H,24H2,1-5H3;8-13,18,21H,14-17,20H2,1-7H3;6-12,17,20H,1,13-16,19H2,2-5H3;5-11,14,34H,13H2,1-4H3;3-9,11-12,32H,1-2H3;3H,1-2H3.
What are the key properties of tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine?
tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine has a molecular weight of 2977.52 g/mol, XLogP of 29.09, 30 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine is sourced from PubChem (CID 158191376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).