lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride

C176H240AlBrCl3LiN36O30 — CID 157076977

IUPAClithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride
SMILESC=CC(=O)N1CCN(c2nc(OCCN(C)C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1CC#N.CN(C)OCO.COC(=O)C1CN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCCN(C)C)nc3c2CCN(c2cc(C)cc4ccccc24)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCON(C)C)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCON(C)C)nc3c2CCNC3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1cc(Br)c2ccccc2c1.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.[AlH3].[H-].[Li+]
InChIInChI=1S/C33H44N6O5.C30H35N7O3.C28H40N6O6.C25H32ClN5O4.C21H34N6O6.C14H13Cl2N3.C11H9Br.C11H20N2O4.C3H9NO2.Al.Li.4H/c1-22-18-23-10-8-9-11-24(23)27(19-22)37-13-12-25-26(20-37)34-31(43-17-16-36(5)6)35-29(25)38-14-15-39(28(21-38)30(40)42-7)32(41)44-33(2,3)4;1-4-28(39)37-14-13-36(19-22(37)9-11-31)29-25-10-12-35(20-26(25)32-30(33-29)40-16-15-34(2)3)27-18-23(38)17-21-7-5-6-8-24(21)27;1-28(2,3)40-27(36)34-15-14-33(18-23(34)25(35)37-6)24-21-12-13-32(16-20-10-8-7-9-11-20)17-22(21)29-26(30-24)38-19-39-31(4)5;1-25(2,3)35-24(33)31-13-12-30(16-20(31)22(32)34-4)21-18-10-11-29(14-17-8-6-5-7-9-17)15-19(18)27-23(26)28-21;1-21(2,3)33-20(29)27-10-9-26(12-16(27)18(28)30-6)17-14-7-8-22-11-15(14)23-19(24-17)31-13-32-25(4)5;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;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4(2)6-3-5;;;;;;/h8-11,18-19,28H,12-17,20-21H2,1-7H3;4-8,17-18,22,38H,1,9-10,12-16,19-20H2,2-3H3;7-11,23H,12-19H2,1-6H3;5-9,20H,10-16H2,1-4H3;16,22H,7-13H2,1-6H3;1-5H,6-9H2;2-7H,1H3;8,12H,5-7H2,1-4H3;5H,3H2,1-2H3;;;;;;/q;;;;;;;;;;+1;;;;-1
InChIKeyDRYOCUNKOZRRAN-UHFFFAOYSA-N
MW3560.26 g/mol
LogP16.28
Rot. Bonds38

About lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride

lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride (PubChem CID 157076977) has the molecular formula C176H240AlBrCl3LiN36O30 and a molecular weight of 3560.26 g/mol. Its IUPAC name is lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride.

Molecular Properties

Compound Namelithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride
PubChem CID157076977
Molecular FormulaC176H240AlBrCl3LiN36O30
Molecular Weight3560.26 g/mol
Exact Mass3555.66
IUPAC Namelithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride
SMILESC=CC(=O)N1CCN(c2nc(OCCN(C)C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1CC#N.CN(C)OCO.COC(=O)C1CN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCCN(C)C)nc3c2CCN(c2cc(C)cc4ccccc24)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCON(C)C)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCON(C)C)nc3c2CCNC3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1cc(Br)c2ccccc2c1.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.[AlH3].[H-].[Li+]
InChIInChI=1S/C33H44N6O5.C30H35N7O3.C28H40N6O6.C25H32ClN5O4.C21H34N6O6.C14H13Cl2N3.C11H9Br.C11H20N2O4.C3H9NO2.Al.Li.4H/c1-22-18-23-10-8-9-11-24(23)27(19-22)37-13-12-25-26(20-37)34-31(43-17-16-36(5)6)35-29(25)38-14-15-39(28(21-38)30(40)42-7)32(41)44-33(2,3)4;1-4-28(39)37-14-13-36(19-22(37)9-11-31)29-25-10-12-35(20-26(25)32-30(33-29)40-16-15-34(2)3)27-18-23(38)17-21-7-5-6-8-24(21)27;1-28(2,3)40-27(36)34-15-14-33(18-23(34)25(35)37-6)24-21-12-13-32(16-20-10-8-7-9-11-20)17-22(21)29-26(30-24)38-19-39-31(4)5;1-25(2,3)35-24(33)31-13-12-30(16-20(31)22(32)34-4)21-18-10-11-29(14-17-8-6-5-7-9-17)15-19(18)27-23(26)28-21;1-21(2,3)33-20(29)27-10-9-26(12-16(27)18(28)30-6)17-14-7-8-22-11-15(14)23-19(24-17)31-13-32-25(4)5;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;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4(2)6-3-5;;;;;;/h8-11,18-19,28H,12-17,20-21H2,1-7H3;4-8,17-18,22,38H,1,9-10,12-16,19-20H2,2-3H3;7-11,23H,12-19H2,1-6H3;5-9,20H,10-16H2,1-4H3;16,22H,7-13H2,1-6H3;1-5H,6-9H2;2-7H,1H3;8,12H,5-7H2,1-4H3;5H,3H2,1-2H3;;;;;;/q;;;;;;;;;;+1;;;;-1
InChIKeyDRYOCUNKOZRRAN-UHFFFAOYSA-N
XLogP16.28
TPSA655.71 Ų
H-Bond Donors4
H-Bond Acceptors60
Rotatable Bonds38
Heavy Atoms248
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003560.26
LogP ≤ 516.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride?
The IUPAC name of lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride (CID 157076977) is lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride.
What is the SMILES notation for lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride?
The canonical SMILES for lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride is C=CC(=O)N1CCN(c2nc(OCCN(C)C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1CC#N.CN(C)OCO.COC(=O)C1CN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCCN(C)C)nc3c2CCN(c2cc(C)cc4ccccc24)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCON(C)C)nc3c2CCN(Cc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CN(c2nc(OCON(C)C)nc3c2CCNC3)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1cc(Br)c2ccccc2c1.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride?
The InChIKey is DRYOCUNKOZRRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O5.C30H35N7O3.C28H40N6O6.C25H32ClN5O4.C21H34N6O6.C14H13Cl2N3.C11H9Br.C11H20N2O4.C3H9NO2.Al.Li.4H/c1-22-18-23-10-8-9-11-24(23)27(19-22)37-13-12-25-26(20-37)34-31(43-17-16-36(5)6)35-29(25)38-14-15-39(28(21-38)30(40)42-7)32(41)44-33(2,3)4;1-4-28(39)37-14-13-36(19-22(37)9-11-31)29-25-10-12-35(20-26(25)32-30(33-29)40-16-15-34(2)3)27-18-23(38)17-21-7-5-6-8-24(21)27;1-28(2,3)40-27(36)34-15-14-33(18-23(34)25(35)37-6)24-21-12-13-32(16-20-10-8-7-9-11-20)17-22(21)29-26(30-24)38-19-39-31(4)5;1-25(2,3)35-24(33)31-13-12-30(16-20(31)22(32)34-4)21-18-10-11-29(14-17-8-6-5-7-9-17)15-19(18)27-23(26)28-21;1-21(2,3)33-20(29)27-10-9-26(12-16(27)18(28)30-6)17-14-7-8-22-11-15(14)23-19(24-17)31-13-32-25(4)5;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;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4(2)6-3-5;;;;;;/h8-11,18-19,28H,12-17,20-21H2,1-7H3;4-8,17-18,22,38H,1,9-10,12-16,19-20H2,2-3H3;7-11,23H,12-19H2,1-6H3;5-9,20H,10-16H2,1-4H3;16,22H,7-13H2,1-6H3;1-5H,6-9H2;2-7H,1H3;8,12H,5-7H2,1-4H3;5H,3H2,1-2H3;;;;;;/q;;;;;;;;;;+1;;;;-1.
What are the key properties of lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride?
lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride has a molecular weight of 3560.26 g/mol, XLogP of 16.28, 38 rotatable bonds, 4 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-3-methylnaphthalene;1-O-tert-butyl 2-O-methyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[7-benzyl-2-(dimethylaminooxymethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-[2-(dimethylamino)ethoxy]-7-(3-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 4-[2-(dimethylaminooxymethoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;2-[4-[2-[2-(dimethylamino)ethoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;dimethylaminooxymethanol;hydride is sourced from PubChem (CID 157076977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).