lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide

C106H113Cl2F5LiN21O16Sn — CID 159144016

About lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide

lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide (PubChem CID 159144016) has the molecular formula C106H113Cl2F5LiN21O16Sn and a molecular weight of 2229.76 g/mol. Its IUPAC name is lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide.

Molecular Properties

• Compound Name: lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide
• PubChem CID: 159144016
• Molecular Formula: C106H113Cl2F5LiN21O16Sn
• Molecular Weight: 2229.76 g/mol
• Exact Mass: 2228.72
• IUPAC Name: lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide
• SMILES: C.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)O)nn(Cc3ccc(F)cc3)c21.CCOC(=O)c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)c1ccc[nH]1)CC2C.COc1ccc(N)cc1[N+](=O)[O-].COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1C.COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1N.Cl[Sn]Cl.[2H]CF.[Li+].[OH-]
• InChI: InChI=1S/C28H28FN5O3.C27H27FN6O3.C22H23FN4O3.C20H19FN4O3.C7H8N2O3.CH3F.CH4.2ClH.Li.H2O.Sn/c1-17-13-21(10-11-24(17)37-3)31-27(35)25-22-16-33(28(36)23-5-4-12-30-23)14-18(2)26(22)34(32-25)15-19-6-8-20(29)9-7-19;1-16-13-33(27(36)22-4-3-11-30-22)15-20-24(26(35)31-19-9-10-23(37-2)21(29)12-19)32-34(25(16)20)14-17-5-7-18(28)8-6-17;1-3-30-22(29)19-17-13-26(21(28)18-5-4-10-24-18)11-14(2)20(17)27(25-19)12-15-6-8-16(23)9-7-15;1-12-9-24(19(26)16-3-2-8-22-16)11-15-17(20(27)28)23-25(18(12)15)10-13-4-6-14(21)7-5-13;1-12-7-3-2-5(8)4-6(7)9(10)11;1-2;;;;;;/h4-13,18,30H,14-16H2,1-3H3,(H,31,35);3-12,16,30H,13-15,29H2,1-2H3,(H,31,35);4-10,14,24H,3,11-13H2,1-2H3;2-8,12,22H,9-11H2,1H3,(H,27,28);2-4H,8H2,1H3;1H3;1H4;2*1H;;1H2;/q;;;;;;;;;+1;;+2/p-3/i;;;;;1D
• InChIKey: KILJJNOMFPQZCN-WDPNZIKQSA-K
• XLogP: 15.15
• TPSA: 490.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.76
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide?

The IUPAC name of lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide (CID 159144016) is lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide.

What is the SMILES notation for lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide?

The canonical SMILES for lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide is C.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)O)nn(Cc3ccc(F)cc3)c21.CCOC(=O)c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)c1ccc[nH]1)CC2C.COc1ccc(N)cc1[N+](=O)[O-].COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1C.COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1N.Cl[Sn]Cl.[2H]CF.[Li+].[OH-].

What is the InChIKey of lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide?

The InChIKey is KILJJNOMFPQZCN-WDPNZIKQSA-K. The full InChI is InChI=1S/C28H28FN5O3.C27H27FN6O3.C22H23FN4O3.C20H19FN4O3.C7H8N2O3.CH3F.CH4.2ClH.Li.H2O.Sn/c1-17-13-21(10-11-24(17)37-3)31-27(35)25-22-16-33(28(36)23-5-4-12-30-23)14-18(2)26(22)34(32-25)15-19-6-8-20(29)9-7-19;1-16-13-33(27(36)22-4-3-11-30-22)15-20-24(26(35)31-19-9-10-23(37-2)21(29)12-19)32-34(25(16)20)14-17-5-7-18(28)8-6-17;1-3-30-22(29)19-17-13-26(21(28)18-5-4-10-24-18)11-14(2)20(17)27(25-19)12-15-6-8-16(23)9-7-15;1-12-9-24(19(26)16-3-2-8-22-16)11-15-17(20(27)28)23-25(18(12)15)10-13-4-6-14(21)7-5-13;1-12-7-3-2-5(8)4-6(7)9(10)11;1-2;;;;;;/h4-13,18,30H,14-16H2,1-3H3,(H,31,35);3-12,16,30H,13-15,29H2,1-2H3,(H,31,35);4-10,14,24H,3,11-13H2,1-2H3;2-8,12,22H,9-11H2,1H3,(H,27,28);2-4H,8H2,1H3;1H3;1H4;2*1H;;1H2;/q;;;;;;;;;+1;;+2/p-3/i;;;;;1D;;;;;;.

What are the key properties of lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide?

lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide has a molecular weight of 2229.76 g/mol, XLogP of 15.15, 23 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;ethyl 1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-methylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;4-methoxy-3-nitroaniline;hydroxide is sourced from PubChem (CID 159144016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).