N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate

C170H216N34O43 — CID 157234051

IUPACN-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOc1ccc(N)cn1.CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.CC(C)(C)OC(=O)NCCOCCOCCOc1ccc([N+](=O)[O-])cn1.CC(C)C[C@H](CC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.CC(C)C[C@H](CC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.O=C[O-].O=c1ccc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C44H55N7O9.C39H47N7O7.C27H32N6O6.C22H24N6O4.C16H25N3O7.C16H27N3O5.C5H4N2O3.CH2O2/c1-29(2)25-31(27-37(52)39(53)35(26-30-11-7-6-8-12-30)50-43(56)60-44(3,4)5)40(54)45-18-20-57-21-22-58-23-24-59-38-16-15-32(28-46-38)47-41(55)34-17-19-51-36-14-10-9-13-33(36)48-42(51)49-34;1-26(2)22-28(24-34(47)36(48)30(40)23-27-8-4-3-5-9-27)37(49)41-15-17-51-18-19-52-20-21-53-35-13-12-29(25-42-35)43-38(50)32-14-16-46-33-11-7-6-10-31(33)44-39(46)45-32;1-27(2,3)39-26(35)28-11-13-36-14-15-37-16-17-38-23-9-8-19(18-29-23)30-24(34)21-10-12-33-22-7-5-4-6-20(22)31-25(33)32-21;23-8-10-30-11-12-31-13-14-32-20-6-5-16(15-24-20)25-21(29)18-7-9-28-19-4-2-1-3-17(19)26-22(28)27-18;1-16(2,3)26-15(20)17-6-7-23-8-9-24-10-11-25-14-5-4-13(12-18-14)19(21)22;1-16(2,3)24-15(20)18-6-7-21-8-9-22-10-11-23-14-5-4-13(17)12-19-14;8-5-2-1-4(3-6-5)7(9)10;2-1-3/h6-17,19,28-29,31,35,39,53H,18,20-27H2,1-5H3,(H,45,54)(H,47,55)(H,50,56);3-14,16,25-26,28,30,36,48H,15,17-24,40H2,1-2H3,(H,41,49)(H,43,50);4-10,12,18H,11,13-17H2,1-3H3,(H,28,35)(H,30,34);1-7,9,15H,8,10-14,23H2,(H,25,29);4-5,12H,6-11H2,1-3H3,(H,17,20);4-5,12H,6-11,17H2,1-3H3,(H,18,20);1-3H,(H,6,8);1H,(H,2,3)/t31-,35-,39+;28-,30-,36+;;;;;;/m11....../s1
InChIKeyAUKWTQULILQODT-CGXDVTADSA-N
MW3423.79 g/mol
LogP15.61
Rot. Bonds88

About N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate

N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate (PubChem CID 157234051) has the molecular formula C170H216N34O43 and a molecular weight of 3423.79 g/mol. Its IUPAC name is N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate.

Molecular Properties

Compound NameN-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate
PubChem CID157234051
Molecular FormulaC170H216N34O43
Molecular Weight3423.79 g/mol
Exact Mass3421.58
IUPAC NameN-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOc1ccc(N)cn1.CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.CC(C)(C)OC(=O)NCCOCCOCCOc1ccc([N+](=O)[O-])cn1.CC(C)C[C@H](CC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.CC(C)C[C@H](CC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.O=C[O-].O=c1ccc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C44H55N7O9.C39H47N7O7.C27H32N6O6.C22H24N6O4.C16H25N3O7.C16H27N3O5.C5H4N2O3.CH2O2/c1-29(2)25-31(27-37(52)39(53)35(26-30-11-7-6-8-12-30)50-43(56)60-44(3,4)5)40(54)45-18-20-57-21-22-58-23-24-59-38-16-15-32(28-46-38)47-41(55)34-17-19-51-36-14-10-9-13-33(36)48-42(51)49-34;1-26(2)22-28(24-34(47)36(48)30(40)23-27-8-4-3-5-9-27)37(49)41-15-17-51-18-19-52-20-21-53-35-13-12-29(25-42-35)43-38(50)32-14-16-46-33-11-7-6-10-31(33)44-39(46)45-32;1-27(2,3)39-26(35)28-11-13-36-14-15-37-16-17-38-23-9-8-19(18-29-23)30-24(34)21-10-12-33-22-7-5-4-6-20(22)31-25(33)32-21;23-8-10-30-11-12-31-13-14-32-20-6-5-16(15-24-20)25-21(29)18-7-9-28-19-4-2-1-3-17(19)26-22(28)27-18;1-16(2,3)26-15(20)17-6-7-23-8-9-24-10-11-25-14-5-4-13(12-18-14)19(21)22;1-16(2,3)24-15(20)18-6-7-21-8-9-22-10-11-23-14-5-4-13(17)12-19-14;8-5-2-1-4(3-6-5)7(9)10;2-1-3/h6-17,19,28-29,31,35,39,53H,18,20-27H2,1-5H3,(H,45,54)(H,47,55)(H,50,56);3-14,16,25-26,28,30,36,48H,15,17-24,40H2,1-2H3,(H,41,49)(H,43,50);4-10,12,18H,11,13-17H2,1-3H3,(H,28,35)(H,30,34);1-7,9,15H,8,10-14,23H2,(H,25,29);4-5,12H,6-11H2,1-3H3,(H,17,20);4-5,12H,6-11,17H2,1-3H3,(H,18,20);1-3H,(H,6,8);1H,(H,2,3)/t31-,35-,39+;28-,30-,36+;;;;;;/m11....../s1
InChIKeyAUKWTQULILQODT-CGXDVTADSA-N
XLogP15.61
TPSA1005.71 Ų
H-Bond Donors16
H-Bond Acceptors63
Rotatable Bonds88
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003423.79
LogP ≤ 515.61
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate?
The IUPAC name of N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate (CID 157234051) is N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate.
What is the SMILES notation for N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate?
The canonical SMILES for N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate is CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(N)cn1.CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.CC(C)(C)OC(=O)NCCOCCOCCOc1ccc([N+](=O)[O-])cn1.CC(C)C[C@H](CC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.CC(C)C[C@H](CC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.NCCOCCOCCOc1ccc(NC(=O)c2ccn3c(n2)nc2ccccc23)cn1.O=C[O-].O=c1ccc([N+](=O)[O-])c[nH]1.
What is the InChIKey of N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate?
The InChIKey is AUKWTQULILQODT-CGXDVTADSA-N. The full InChI is InChI=1S/C44H55N7O9.C39H47N7O7.C27H32N6O6.C22H24N6O4.C16H25N3O7.C16H27N3O5.C5H4N2O3.CH2O2/c1-29(2)25-31(27-37(52)39(53)35(26-30-11-7-6-8-12-30)50-43(56)60-44(3,4)5)40(54)45-18-20-57-21-22-58-23-24-59-38-16-15-32(28-46-38)47-41(55)34-17-19-51-36-14-10-9-13-33(36)48-42(51)49-34;1-26(2)22-28(24-34(47)36(48)30(40)23-27-8-4-3-5-9-27)37(49)41-15-17-51-18-19-52-20-21-53-35-13-12-29(25-42-35)43-38(50)32-14-16-46-33-11-7-6-10-31(33)44-39(46)45-32;1-27(2,3)39-26(35)28-11-13-36-14-15-37-16-17-38-23-9-8-19(18-29-23)30-24(34)21-10-12-33-22-7-5-4-6-20(22)31-25(33)32-21;23-8-10-30-11-12-31-13-14-32-20-6-5-16(15-24-20)25-21(29)18-7-9-28-19-4-2-1-3-17(19)26-22(28)27-18;1-16(2,3)26-15(20)17-6-7-23-8-9-24-10-11-25-14-5-4-13(12-18-14)19(21)22;1-16(2,3)24-15(20)18-6-7-21-8-9-22-10-11-23-14-5-4-13(17)12-19-14;8-5-2-1-4(3-6-5)7(9)10;2-1-3/h6-17,19,28-29,31,35,39,53H,18,20-27H2,1-5H3,(H,45,54)(H,47,55)(H,50,56);3-14,16,25-26,28,30,36,48H,15,17-24,40H2,1-2H3,(H,41,49)(H,43,50);4-10,12,18H,11,13-17H2,1-3H3,(H,28,35)(H,30,34);1-7,9,15H,8,10-14,23H2,(H,25,29);4-5,12H,6-11H2,1-3H3,(H,17,20);4-5,12H,6-11,17H2,1-3H3,(H,18,20);1-3H,(H,6,8);1H,(H,2,3)/t31-,35-,39+;28-,30-,36+;;;;;;/m11....../s1.
What are the key properties of N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate?
N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate has a molecular weight of 3423.79 g/mol, XLogP of 15.61, 88 rotatable bonds, 16 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide;tert-butyl N-[2-[2-[2-[(5-amino-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]carbamate;tert-butyl N-[2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]carbamate;[(2R,3S,6R)-3-hydroxy-8-methyl-4-oxo-1-phenyl-6-[2-[2-[2-[[5-(pyrimido[1,2-a]benzimidazole-2-carbonylamino)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylcarbamoyl]nonan-2-yl]azanium;5-nitro-1H-pyridin-2-one;formate is sourced from PubChem (CID 157234051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).