About 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 159113495) has the molecular formula C210H281BrCl3N29O19Si4
and a molecular weight of 3814.35 g/mol. Its IUPAC name is 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one.
Frequently Asked Questions
What is the IUPAC name of 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one (CID 159113495) is 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(OCCN(C)C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)C(CCO)C1.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.CC(C)(C)OC(=O)N1CCNC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.CN(C)CCO.CN(C)CCOc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)n1)CCN(Cc1ccccc1)C2.CN(C)CCOc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)n1)CCNC2.Cc1cc(Br)c2ccccc2c1.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is KEUFEMBULVHQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H62N6O4Si.C41H52ClN5O3Si.C38H56N6O4Si.C30H38N6O4.C27H40N2O3Si.C14H13Cl2N3.C11H9Br.C4H11NO/c1-44(2,3)55-43(52)50-27-28-51(36(33-50)25-30-54-56(45(4,5)6,37-20-14-10-15-21-37)38-22-16-11-17-23-38)41-39-24-26-49(32-35-18-12-9-13-19-35)34-40(39)46-42(47-41)53-31-29-48(7)8;1-40(2,3)50-39(48)46-25-26-47(37-35-22-24-45(28-31-16-10-7-11-17-31)30-36(35)43-38(42)44-37)32(29-46)23-27-49-51(41(4,5)6,33-18-12-8-13-19-33)34-20-14-9-15-21-34;1-37(2,3)48-36(45)43-22-23-44(34-32-19-21-39-27-33(32)40-35(41-34)46-26-24-42(7)8)29(28-43)20-25-47-49(38(4,5)6,30-15-11-9-12-16-30)31-17-13-10-14-18-31;1-4-28(39)35-12-13-36(22(19-35)10-15-37)29-25-9-11-34(20-26(25)31-30(32-29)40-16-14-33(2)3)27-18-23(38)17-21-7-5-6-8-24(21)27;1-26(2,3)32-25(30)29-19-18-28-22(21-29)17-20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-8-6-9-4-2-3-5-10(9)11(12)7-8;1-5(2)3-4-6/h9-23,36H,24-34H2,1-8H3;7-21,32H,22-30H2,1-6H3;9-18,29,39H,19-28H2,1-8H3;4-8,17-18,22,37-38H,1,9-16,19-20H2,2-3H3;7-16,22,28H,17-21H2,1-6H3;1-5H,6-9H2;2-7H,1H3;6H,3-4H2,1-2H3.
What are the key properties of 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 3814.35 g/mol, XLogP of 31.28, 52 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[2-(dimethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[2-[2-(dimethylamino)ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate;2-(dimethylamino)ethanol;1-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159113495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).