calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride

C89H124CaClN12NaO21S2 — CID 162035277

About calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride

calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride (PubChem CID 162035277) has the molecular formula C89H124CaClN12NaO21S2 and a molecular weight of 1860.69 g/mol. Its IUPAC name is calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride.

Molecular Properties

• Compound Name: calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride
• PubChem CID: 162035277
• Molecular Formula: C89H124CaClN12NaO21S2
• Molecular Weight: 1860.69 g/mol
• Exact Mass: 1858.77
• IUPAC Name: calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride
• SMILES: C.COCCn1ccc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3(C)CC3)CC(=O)[C@@H]3C[C@@H](Oc4cc(OC(C)C)nc5c(C)c(OC)ccc45)CN3C2=O)n1.COCCn1ccc(C(=O)[O-])n1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H]([NH3+])C(=O)N4C3)cc(OC(C)C)nc2c1C.[Ca+2].[Cl-].[H-].[H-].[Na+]
• InChI: InChI=1S/C44H58N6O10S.C37H50N4O8S.C7H10N2O3.CH4.Ca.ClH.Na.2H/c1-27(2)59-38-23-37(31-14-15-36(58-6)28(3)39(31)46-38)60-30-22-34-35(51)25-44(42(54)48-61(55,56)43(4)17-18-43)24-29(44)12-10-8-7-9-11-13-33(41(53)50(34)26-30)45-40(52)32-16-19-49(47-32)20-21-57-5;1-22(2)48-32-18-31(26-13-14-30(47-5)23(3)33(26)39-32)49-25-17-28-29(42)20-37(35(44)40-50(45,46)36(4)15-16-36)19-24(37)11-9-7-6-8-10-12-27(38)34(43)41(28)21-25;1-12-5-4-9-3-2-6(8-9)7(10)11;;;;;;/h10,12,14-16,19,23,27,29-30,33-34H,7-9,11,13,17-18,20-22,24-26H2,1-6H3,(H,45,52)(H,48,54);9,11,13-14,18,22,24-25,27-28H,6-8,10,12,15-17,19-21,38H2,1-5H3,(H,40,44);2-3H,4-5H2,1H3,(H,10,11);1H4;;1H;;;/q;;;;+2;;+1;2*-1/p-1/b12-10-;11-9-;;;;;;;/t29-,30-,33+,34+,44-;24-,25-,27+,28+,37-;;;;;;;/m11......./s1
• InChIKey: LZRKLHOYPWZXTE-NWHOUDFWSA-M
• XLogP: 1.98
• TPSA: 433.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1860.69
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride?

The IUPAC name of calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride (CID 162035277) is calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride.

What is the SMILES notation for calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride?

The canonical SMILES for calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride is C.COCCn1ccc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3(C)CC3)CC(=O)[C@@H]3C[C@@H](Oc4cc(OC(C)C)nc5c(C)c(OC)ccc45)CN3C2=O)n1.COCCn1ccc(C(=O)[O-])n1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H]([NH3+])C(=O)N4C3)cc(OC(C)C)nc2c1C.[Ca+2].[Cl-].[H-].[H-].[Na+].

What is the InChIKey of calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride?

The InChIKey is LZRKLHOYPWZXTE-NWHOUDFWSA-M. The full InChI is InChI=1S/C44H58N6O10S.C37H50N4O8S.C7H10N2O3.CH4.Ca.ClH.Na.2H/c1-27(2)59-38-23-37(31-14-15-36(58-6)28(3)39(31)46-38)60-30-22-34-35(51)25-44(42(54)48-61(55,56)43(4)17-18-43)24-29(44)12-10-8-7-9-11-13-33(41(53)50(34)26-30)45-40(52)32-16-19-49(47-32)20-21-57-5;1-22(2)48-32-18-31(26-13-14-30(47-5)23(3)33(26)39-32)49-25-17-28-29(42)20-37(35(44)40-50(45,46)36(4)15-16-36)19-24(37)11-9-7-6-8-10-12-27(38)34(43)41(28)21-25;1-12-5-4-9-3-2-6(8-9)7(10)11;;;;;;/h10,12,14-16,19,23,27,29-30,33-34H,7-9,11,13,17-18,20-22,24-26H2,1-6H3,(H,45,52)(H,48,54);9,11,13-14,18,22,24-25,27-28H,6-8,10,12,15-17,19-21,38H2,1-5H3,(H,40,44);2-3H,4-5H2,1H3,(H,10,11);1H4;;1H;;;/q;;;;+2;;+1;2*-1/p-1/b12-10-;11-9-;;;;;;;/t29-,30-,33+,34+,44-;24-,25-,27+,28+,37-;;;;;;;/m11......./s1.

What are the key properties of calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride?

calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride has a molecular weight of 1860.69 g/mol, XLogP of 1.98, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for calcium;sodium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-(2-methoxyethyl)pyrazole-3-carboxylate;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;chloride is sourced from PubChem (CID 162035277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).