dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide

C124H143BrCl4Li2N44O24 — CID 161364809

IUPACdilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide
SMILESCC(C)(C)OC(=O)N1CCOC(CN)C1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cn[nH]c2)n1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cnn(CCCl)c2)n1.ClCCBr.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)NCC2CNCCO2)n1.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)[O-])n1.Cn1cc2c(n1)C(=O)NCC1CN(CCO1)C(=O)OCCn1cc(cn1)-c1cccc(n1)C(=O)N2.Cn1cc2c(n1)C(=O)NCC1CN(CCO1)CCn1cc(cn1)-c1cccc(n1)C(=O)N2.[Li+].[Li+].[OH-]
InChIInChI=1S/C22H24N8O5.C21H25ClN8O3.C21H24N8O3.C17H17ClN6O3.C16H15ClN6O3.C15H14N6O3.C10H20N2O3.C2H4BrCl.2Li.H2O/c1-28-13-18-19(27-28)21(32)23-10-15-12-29(5-7-34-15)22(33)35-8-6-30-11-14(9-24-30)16-3-2-4-17(25-16)20(31)26-18;1-29-13-18(19(28-29)21(32)24-11-15-10-23-6-8-33-15)27-20(31)17-4-2-3-16(26-17)14-9-25-30(12-14)7-5-22;1-27-13-18-19(26-27)21(31)22-10-15-12-28(7-8-32-15)5-6-29-11-14(9-23-29)16-3-2-4-17(24-16)20(30)25-18;1-23-10-14(15(22-23)17(26)27-2)21-16(25)13-5-3-4-12(20-13)11-8-19-24(9-11)7-6-18;1-22-9-13(14(21-22)16(25)26)20-15(24)12-4-2-3-11(19-12)10-7-18-23(8-10)6-5-17;1-21-8-12(13(20-21)15(23)24-2)19-14(22)11-5-3-4-10(18-11)9-6-16-17-7-9;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1-2-4;;;/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,23,32)(H,26,31);2-4,9,12-13,15,23H,5-8,10-11H2,1H3,(H,24,32)(H,27,31);2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,22,31)(H,25,30);3-5,8-10H,6-7H2,1-2H3,(H,21,25);2-4,7-9H,5-6H2,1H3,(H,20,24)(H,25,26);3-8H,1-2H3,(H,16,17)(H,19,22);8H,4-7,11H2,1-3H3;1-2H2;;;1H2/q;;;;;;;;2*+1;/p-2
InChIKeyICLGPZGZILCUNO-UHFFFAOYSA-L
MW2869.39 g/mol
LogP1.54
Rot. Bonds26

About dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide

dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide (PubChem CID 161364809) has the molecular formula C124H143BrCl4Li2N44O24 and a molecular weight of 2869.39 g/mol. Its IUPAC name is dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide.

Molecular Properties

Compound Namedilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide
PubChem CID161364809
Molecular FormulaC124H143BrCl4Li2N44O24
Molecular Weight2869.39 g/mol
Exact Mass2864.96
IUPAC Namedilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide
SMILESCC(C)(C)OC(=O)N1CCOC(CN)C1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cn[nH]c2)n1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cnn(CCCl)c2)n1.ClCCBr.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)NCC2CNCCO2)n1.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)[O-])n1.Cn1cc2c(n1)C(=O)NCC1CN(CCO1)C(=O)OCCn1cc(cn1)-c1cccc(n1)C(=O)N2.Cn1cc2c(n1)C(=O)NCC1CN(CCO1)CCn1cc(cn1)-c1cccc(n1)C(=O)N2.[Li+].[Li+].[OH-]
InChIInChI=1S/C22H24N8O5.C21H25ClN8O3.C21H24N8O3.C17H17ClN6O3.C16H15ClN6O3.C15H14N6O3.C10H20N2O3.C2H4BrCl.2Li.H2O/c1-28-13-18-19(27-28)21(32)23-10-15-12-29(5-7-34-15)22(33)35-8-6-30-11-14(9-24-30)16-3-2-4-17(25-16)20(31)26-18;1-29-13-18(19(28-29)21(32)24-11-15-10-23-6-8-33-15)27-20(31)17-4-2-3-16(26-17)14-9-25-30(12-14)7-5-22;1-27-13-18-19(26-27)21(31)22-10-15-12-28(7-8-32-15)5-6-29-11-14(9-23-29)16-3-2-4-17(24-16)20(30)25-18;1-23-10-14(15(22-23)17(26)27-2)21-16(25)13-5-3-4-12(20-13)11-8-19-24(9-11)7-6-18;1-22-9-13(14(21-22)16(25)26)20-15(24)12-4-2-3-11(19-12)10-7-18-23(8-10)6-5-17;1-21-8-12(13(20-21)15(23)24-2)19-14(22)11-5-3-4-10(18-11)9-6-16-17-7-9;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1-2-4;;;/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,23,32)(H,26,31);2-4,9,12-13,15,23H,5-8,10-11H2,1H3,(H,24,32)(H,27,31);2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,22,31)(H,25,30);3-5,8-10H,6-7H2,1-2H3,(H,21,25);2-4,7-9H,5-6H2,1H3,(H,20,24)(H,25,26);3-8H,1-2H3,(H,16,17)(H,19,22);8H,4-7,11H2,1-3H3;1-2H2;;;1H2/q;;;;;;;;2*+1;/p-2
InChIKeyICLGPZGZILCUNO-UHFFFAOYSA-L
XLogP1.54
TPSA823.96 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds26
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002869.39
LogP ≤ 51.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide?
The IUPAC name of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide (CID 161364809) is dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide.
What is the SMILES notation for dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide?
The canonical SMILES for dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide is CC(C)(C)OC(=O)N1CCOC(CN)C1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cn[nH]c2)n1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cnn(CCCl)c2)n1.ClCCBr.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)NCC2CNCCO2)n1.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)n2)c(C(=O)[O-])n1.Cn1cc2c(n1)C(=O)NCC1CN(CCO1)C(=O)OCCn1cc(cn1)-c1cccc(n1)C(=O)N2.Cn1cc2c(n1)C(=O)NCC1CN(CCO1)CCn1cc(cn1)-c1cccc(n1)C(=O)N2.[Li+].[Li+].[OH-].
What is the InChIKey of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide?
The InChIKey is ICLGPZGZILCUNO-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H24N8O5.C21H25ClN8O3.C21H24N8O3.C17H17ClN6O3.C16H15ClN6O3.C15H14N6O3.C10H20N2O3.C2H4BrCl.2Li.H2O/c1-28-13-18-19(27-28)21(32)23-10-15-12-29(5-7-34-15)22(33)35-8-6-30-11-14(9-24-30)16-3-2-4-17(25-16)20(31)26-18;1-29-13-18(19(28-29)21(32)24-11-15-10-23-6-8-33-15)27-20(31)17-4-2-3-16(26-17)14-9-25-30(12-14)7-5-22;1-27-13-18-19(26-27)21(31)22-10-15-12-28(7-8-32-15)5-6-29-11-14(9-23-29)16-3-2-4-17(24-16)20(30)25-18;1-23-10-14(15(22-23)17(26)27-2)21-16(25)13-5-3-4-12(20-13)11-8-19-24(9-11)7-6-18;1-22-9-13(14(21-22)16(25)26)20-15(24)12-4-2-3-11(19-12)10-7-18-23(8-10)6-5-17;1-21-8-12(13(20-21)15(23)24-2)19-14(22)11-5-3-4-10(18-11)9-6-16-17-7-9;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1-2-4;;;/h2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,23,32)(H,26,31);2-4,9,12-13,15,23H,5-8,10-11H2,1H3,(H,24,32)(H,27,31);2-4,9,11,13,15H,5-8,10,12H2,1H3,(H,22,31)(H,25,30);3-5,8-10H,6-7H2,1-2H3,(H,21,25);2-4,7-9H,5-6H2,1H3,(H,20,24)(H,25,26);3-8H,1-2H3,(H,16,17)(H,19,22);8H,4-7,11H2,1-3H3;1-2H2;;;1H2/q;;;;;;;;2*+1;/p-2.
What are the key properties of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide?
dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide has a molecular weight of 2869.39 g/mol, XLogP of 1.54, 26 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide;4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[6-[1-(2-chloroethyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate;20-methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione;methyl 1-methyl-4-[[6-(1H-pyrazol-4-yl)pyridine-2-carbonyl]amino]pyrazole-3-carboxylate;18-methyl-11-oxa-4,5,8,14,17,18,21,27-octazapentacyclo[21.3.1.12,5.18,12.016,20]nonacosa-1(27),2(29),3,16,19,23,25-heptaene-15,22-dione;hydroxide is sourced from PubChem (CID 161364809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).