lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride

C151H182Cl2LiN39O24 — CID 157349920

IUPAClithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride
SMILESC.C.C.C.C.C.C.CNCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.COC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.COC(=O)C1=CCNCC1.Cl.Cl.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O.O=C(O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.[Li+].[OH-]
InChIInChI=1S/C25H27N7O3.2C24H25N7O3.C24H24N6O4.C23H22N6O4.C17H15N5O3.C7H11NO2.7CH4.2ClH.Li.2H2O/c1-26-15-21(33)16-6-8-32(9-7-16)23(34)12-22-30-31-24(35-22)19-13-27-25(28-14-19)29-20-10-17-4-2-3-5-18(17)11-20;2*25-12-20(32)15-5-7-31(8-6-15)22(33)11-21-29-30-23(34-21)18-13-26-24(27-14-18)28-19-9-16-3-1-2-4-17(16)10-19;1-33-23(32)15-6-8-30(9-7-15)21(31)12-20-28-29-22(34-20)18-13-25-24(26-14-18)27-19-10-16-4-2-3-5-17(16)11-19;30-20(29-7-5-14(6-8-29)22(31)32)11-19-27-28-21(33-19)17-12-24-23(25-13-17)26-18-9-15-3-1-2-4-16(15)10-18;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-10-7(9)6-2-4-8-5-3-6;;;;;;;;;;;;/h2-6,13-14,20,26H,7-12,15H2,1H3,(H,27,28,29);2*1-5,13-14,19H,6-12,25H2,(H,26,27,28);2-6,13-14,19H,7-12H2,1H3,(H,25,26,27);1-5,12-13,18H,6-11H2,(H,31,32)(H,24,25,26);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);2,8H,3-5H2,1H3;7*1H4;2*1H;;2*1H2/q;;;;;;;;;;;;;;;;+1;;/p-1
InChIKeyUDJRZDLQJJYYRG-UHFFFAOYSA-M
MW3005.21 g/mol
LogP11.25
Rot. Bonds40

About lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride

lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride (PubChem CID 157349920) has the molecular formula C151H182Cl2LiN39O24 and a molecular weight of 3005.21 g/mol. Its IUPAC name is lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride.

Molecular Properties

Compound Namelithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride
PubChem CID157349920
Molecular FormulaC151H182Cl2LiN39O24
Molecular Weight3005.21 g/mol
Exact Mass3002.38
IUPAC Namelithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride
SMILESC.C.C.C.C.C.C.CNCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.COC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.COC(=O)C1=CCNCC1.Cl.Cl.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O.O=C(O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.[Li+].[OH-]
InChIInChI=1S/C25H27N7O3.2C24H25N7O3.C24H24N6O4.C23H22N6O4.C17H15N5O3.C7H11NO2.7CH4.2ClH.Li.2H2O/c1-26-15-21(33)16-6-8-32(9-7-16)23(34)12-22-30-31-24(35-22)19-13-27-25(28-14-19)29-20-10-17-4-2-3-5-18(17)11-20;2*25-12-20(32)15-5-7-31(8-6-15)22(33)11-21-29-30-23(34-21)18-13-26-24(27-14-18)28-19-9-16-3-1-2-4-17(16)10-19;1-33-23(32)15-6-8-30(9-7-15)21(31)12-20-28-29-22(34-20)18-13-25-24(26-14-18)27-19-10-16-4-2-3-5-17(16)11-19;30-20(29-7-5-14(6-8-29)22(31)32)11-19-27-28-21(33-19)17-12-24-23(25-13-17)26-18-9-15-3-1-2-4-16(15)10-18;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-10-7(9)6-2-4-8-5-3-6;;;;;;;;;;;;/h2-6,13-14,20,26H,7-12,15H2,1H3,(H,27,28,29);2*1-5,13-14,19H,6-12,25H2,(H,26,27,28);2-6,13-14,19H,7-12H2,1H3,(H,25,26,27);1-5,12-13,18H,6-11H2,(H,31,32)(H,24,25,26);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);2,8H,3-5H2,1H3;7*1H4;2*1H;;2*1H2/q;;;;;;;;;;;;;;;;+1;;/p-1
InChIKeyUDJRZDLQJJYYRG-UHFFFAOYSA-M
XLogP11.25
TPSA877.94 Ų
H-Bond Donors12
H-Bond Acceptors55
Rotatable Bonds40
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003005.21
LogP ≤ 511.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1055

Analyze lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride?
The IUPAC name of lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride (CID 157349920) is lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride.
What is the SMILES notation for lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride?
The canonical SMILES for lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride is C.C.C.C.C.C.C.CNCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.COC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.COC(=O)C1=CCNCC1.Cl.Cl.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O.O=C(O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.[Li+].[OH-].
What is the InChIKey of lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride?
The InChIKey is UDJRZDLQJJYYRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H27N7O3.2C24H25N7O3.C24H24N6O4.C23H22N6O4.C17H15N5O3.C7H11NO2.7CH4.2ClH.Li.2H2O/c1-26-15-21(33)16-6-8-32(9-7-16)23(34)12-22-30-31-24(35-22)19-13-27-25(28-14-19)29-20-10-17-4-2-3-5-18(17)11-20;2*25-12-20(32)15-5-7-31(8-6-15)22(33)11-21-29-30-23(34-21)18-13-26-24(27-14-18)28-19-9-16-3-1-2-4-17(16)10-19;1-33-23(32)15-6-8-30(9-7-15)21(31)12-20-28-29-22(34-20)18-13-25-24(26-14-18)27-19-10-16-4-2-3-5-17(16)11-19;30-20(29-7-5-14(6-8-29)22(31)32)11-19-27-28-21(33-19)17-12-24-23(25-13-17)26-18-9-15-3-1-2-4-16(15)10-18;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-10-7(9)6-2-4-8-5-3-6;;;;;;;;;;;;/h2-6,13-14,20,26H,7-12,15H2,1H3,(H,27,28,29);2*1-5,13-14,19H,6-12,25H2,(H,26,27,28);2-6,13-14,19H,7-12H2,1H3,(H,25,26,27);1-5,12-13,18H,6-11H2,(H,31,32)(H,24,25,26);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);2,8H,3-5H2,1H3;7*1H4;2*1H;;2*1H2/q;;;;;;;;;;;;;;;;+1;;/p-1.
What are the key properties of lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride?
lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride has a molecular weight of 3005.21 g/mol, XLogP of 11.25, 40 rotatable bonds, 12 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone);2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-[4-[2-(methylamino)acetyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;methane;methyl 1-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-3,6-dihydro-2H-pyridine-4-carboxylate;methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydroxide;hydrate;dihydrochloride is sourced from PubChem (CID 157349920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).