sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine

C97H100F5N30NaO14 — CID 158646229

About sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine

sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine (PubChem CID 158646229) has the molecular formula C97H100F5N30NaO14 and a molecular weight of 2028.04 g/mol. Its IUPAC name is sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine.

Molecular Properties

• Compound Name: sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine
• PubChem CID: 158646229
• Molecular Formula: C97H100F5N30NaO14
• Molecular Weight: 2028.04 g/mol
• Exact Mass: 2026.79
• IUPAC Name: sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine
• SMILES: CC.CCOC(=O)c1c(F)ccc(N)c1N.CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1N.CCOC(=O)c1c(F)ccc2[nH]c(-c3cc(-c4cnn(C)c4)cnc3N)nc12.CO.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)CCc5ccncc5)c(F)ccc4[nH]3)c2)cn1.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)O)c(F)ccc4[nH]3)c2)cn1.Cn1cc(-c2cnc(N)c(C=O)c2)cn1.NCc1ccncc1.[NH-]O.[Na+]
• InChI: InChI=1S/C24H20FN7O.C19H17FN6O2.C17H13FN6O2.C10H10N4O.C9H9FN2O4.C9H11FN2O2.C6H8N2.C2H6.CH4O.H2NO.Na/c1-32-13-16(12-29-32)15-10-17(23(26)28-11-15)24-30-19-4-3-18(25)21(22(19)31-24)20(33)5-2-14-6-8-27-9-7-14;1-3-28-19(27)15-13(20)4-5-14-16(15)25-18(24-14)12-6-10(7-22-17(12)21)11-8-23-26(2)9-11;1-24-7-9(6-21-24)8-4-10(15(19)20-5-8)16-22-12-3-2-11(18)13(17(25)26)14(12)23-16;1-14-5-9(4-13-14)7-2-8(6-15)10(11)12-3-7;1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15;1-2-14-9(13)7-5(10)3-4-6(11)8(7)12;7-5-6-1-3-8-4-2-6;3*1-2;/h3-4,6-13H,2,5H2,1H3,(H2,26,28)(H,30,31);4-9H,3H2,1-2H3,(H2,21,22)(H,24,25);2-7H,1H3,(H2,19,20)(H,22,23)(H,25,26);2-6H,1H3,(H2,11,12);3-4H,2,11H2,1H3;3-4H,2,11-12H2,1H3;1-4H,5,7H2;1-2H3;2H,1H3;1-2H;/q;;;;;;;;;-1;+1
• InChIKey: IAZRUOJIJMTVKZ-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 700.56 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.04
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine?

The IUPAC name of sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine (CID 158646229) is sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine.

What is the SMILES notation for sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine?

The canonical SMILES for sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine is CC.CCOC(=O)c1c(F)ccc(N)c1N.CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1N.CCOC(=O)c1c(F)ccc2[nH]c(-c3cc(-c4cnn(C)c4)cnc3N)nc12.CO.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)CCc5ccncc5)c(F)ccc4[nH]3)c2)cn1.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)O)c(F)ccc4[nH]3)c2)cn1.Cn1cc(-c2cnc(N)c(C=O)c2)cn1.NCc1ccncc1.[NH-]O.[Na+].

What is the InChIKey of sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine?

The InChIKey is IAZRUOJIJMTVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O.C19H17FN6O2.C17H13FN6O2.C10H10N4O.C9H9FN2O4.C9H11FN2O2.C6H8N2.C2H6.CH4O.H2NO.Na/c1-32-13-16(12-29-32)15-10-17(23(26)28-11-15)24-30-19-4-3-18(25)21(22(19)31-24)20(33)5-2-14-6-8-27-9-7-14;1-3-28-19(27)15-13(20)4-5-14-16(15)25-18(24-14)12-6-10(7-22-17(12)21)11-8-23-26(2)9-11;1-24-7-9(6-21-24)8-4-10(15(19)20-5-8)16-22-12-3-2-11(18)13(17(25)26)14(12)23-16;1-14-5-9(4-13-14)7-2-8(6-15)10(11)12-3-7;1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15;1-2-14-9(13)7-5(10)3-4-6(11)8(7)12;7-5-6-1-3-8-4-2-6;3*1-2;/h3-4,6-13H,2,5H2,1H3,(H2,26,28)(H,30,31);4-9H,3H2,1-2H3,(H2,21,22)(H,24,25);2-7H,1H3,(H2,19,20)(H,22,23)(H,25,26);2-6H,1H3,(H2,11,12);3-4H,2,11H2,1H3;3-4H,2,11-12H2,1H3;1-4H,5,7H2;1-2H3;2H,1H3;1-2H;/q;;;;;;;;;-1;+1.

What are the key properties of sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine?

sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine has a molecular weight of 2028.04 g/mol, XLogP of 11.47, 21 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylic acid;1-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl]-3-pyridin-4-ylpropan-1-one;ethane;ethyl 2-amino-6-fluoro-3-nitrobenzoate;ethyl 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazole-4-carboxylate;ethyl 2,3-diamino-6-fluorobenzoate;hydroxyazanide;methanol;pyridin-4-ylmethanamine is sourced from PubChem (CID 158646229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).