5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate

C78H76Cl4N28O8 — CID 157378289

About 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate

5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate (PubChem CID 157378289) has the molecular formula C78H76Cl4N28O8 and a molecular weight of 1675.47 g/mol. Its IUPAC name is 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate.

Molecular Properties

• Compound Name: 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate
• PubChem CID: 157378289
• Molecular Formula: C78H76Cl4N28O8
• Molecular Weight: 1675.47 g/mol
• Exact Mass: 1672.52
• IUPAC Name: 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate
• SMILES: C/N=C(\N)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.O.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCC1.[H]/N=C(\N)c1ccc(CNc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1
• InChI: InChI=1S/C21H20ClN7O2.C20H18ClN7O2.C19H18ClN7O2.C18H18ClN7O.H2O/c1-28-19(16(12-25-28)21(31)26-17-8-7-15(22)11-24-17)27-20(30)14-5-3-13(4-6-14)18(23)29-9-2-10-29;1-27-18(15(11-24-27)20(30)25-16-7-6-14(21)10-23-16)26-19(29)13-4-2-12(3-5-13)17(22)28-8-9-28;1-22-16(21)11-3-5-12(6-4-11)18(28)26-17-14(10-24-27(17)2)19(29)25-15-8-7-13(20)9-23-15;1-26-17(23-8-11-2-4-12(5-3-11)16(20)21)14(10-24-26)18(27)25-15-7-6-13(19)9-22-15;/h3-8,11-12,23H,2,9-10H2,1H3,(H,27,30)(H,24,26,31);2-7,10-11,22H,8-9H2,1H3,(H,26,29)(H,23,25,30);3-10H,1-2H3,(H2,21,22)(H,26,28)(H,23,25,29);2-7,9-10,23H,8H2,1H3,(H3,20,21)(H,22,25,27);1H2/b23-18-;22-17-
• InChIKey: WLCRHDKLOMFKGU-SAUJTJHSSA-N
• XLogP: 9.72
• TPSA: 512.27 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1675.47
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate?

The IUPAC name of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate (CID 157378289) is 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate.

What is the SMILES notation for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate?

The canonical SMILES for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate is C/N=C(\N)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.O.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCC1.[H]/N=C(\N)c1ccc(CNc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.

What is the InChIKey of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate?

The InChIKey is WLCRHDKLOMFKGU-SAUJTJHSSA-N. The full InChI is InChI=1S/C21H20ClN7O2.C20H18ClN7O2.C19H18ClN7O2.C18H18ClN7O.H2O/c1-28-19(16(12-25-28)21(31)26-17-8-7-15(22)11-24-17)27-20(30)14-5-3-13(4-6-14)18(23)29-9-2-10-29;1-27-18(15(11-24-27)20(30)25-16-7-6-14(21)10-23-16)26-19(29)13-4-2-12(3-5-13)17(22)28-8-9-28;1-22-16(21)11-3-5-12(6-4-11)18(28)26-17-14(10-24-27(17)2)19(29)25-15-8-7-13(20)9-23-15;1-26-17(23-8-11-2-4-12(5-3-11)16(20)21)14(10-24-26)18(27)25-15-7-6-13(19)9-22-15;/h3-8,11-12,23H,2,9-10H2,1H3,(H,27,30)(H,24,26,31);2-7,10-11,22H,8-9H2,1H3,(H,26,29)(H,23,25,30);3-10H,1-2H3,(H2,21,22)(H,26,28)(H,23,25,29);2-7,9-10,23H,8H2,1H3,(H3,20,21)(H,22,25,27);1H2/b23-18-;22-17-;;;.

What are the key properties of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate?

5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate has a molecular weight of 1675.47 g/mol, XLogP of 9.72, 21 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate is sourced from PubChem (CID 157378289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).