1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide

C104H104N34O7S2 — CID 161471898

About 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide

1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 161471898) has the molecular formula C104H104N34O7S2 and a molecular weight of 2006.34 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
• PubChem CID: 161471898
• Molecular Formula: C104H104N34O7S2
• Molecular Weight: 2006.34 g/mol
• Exact Mass: 2004.83
• IUPAC Name: 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
• SMILES: CN1CCOc2cc(-n3ccc(C(=O)Nc4cnccc4N4CCNCC4)n3)ccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3nc[nH]c3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3sccc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3scnc3c2)n1
• InChI: InChI=1S/C22H25N7O2.C21H20N6O2.C21H20N6OS.C20H20N8O.C20H19N7OS/c1-27-12-13-31-21-14-16(2-3-20(21)27)29-9-5-17(26-29)22(30)25-18-15-24-6-4-19(18)28-10-7-23-8-11-28;2*28-21(24-18-14-23-6-3-19(18)26-10-7-22-8-11-26)17-4-9-27(25-17)16-1-2-20-15(13-16)5-12-29-20;29-20(25-18-12-22-5-3-19(18)27-9-6-21-7-10-27)16-4-8-28(26-16)14-1-2-15-17(11-14)24-13-23-15;28-20(24-17-12-22-5-3-18(17)26-9-6-21-7-10-26)15-4-8-27(25-15)14-1-2-19-16(11-14)23-13-29-19/h2-6,9,14-15,23H,7-8,10-13H2,1H3,(H,25,30);2*1-6,9,12-14,22H,7-8,10-11H2,(H,24,28);1-5,8,11-13,21H,6-7,9-10H2,(H,23,24)(H,25,29);1-5,8,11-13,21H,6-7,9-10H2,(H,24,28)
• InChIKey: WDEWMUIXTCZZJU-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 442.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.34
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?

The IUPAC name of 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide (CID 161471898) is 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide.

What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?

The canonical SMILES for 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide is CN1CCOc2cc(-n3ccc(C(=O)Nc4cnccc4N4CCNCC4)n3)ccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3nc[nH]c3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3sccc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3scnc3c2)n1.

What is the InChIKey of 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?

The InChIKey is WDEWMUIXTCZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2.C21H20N6O2.C21H20N6OS.C20H20N8O.C20H19N7OS/c1-27-12-13-31-21-14-16(2-3-20(21)27)29-9-5-17(26-29)22(30)25-18-15-24-6-4-19(18)28-10-7-23-8-11-28;2*28-21(24-18-14-23-6-3-19(18)26-10-7-22-8-11-26)17-4-9-27(25-17)16-1-2-20-15(13-16)5-12-29-20;29-20(25-18-12-22-5-3-19(18)27-9-6-21-7-10-27)16-4-8-28(26-16)14-1-2-15-17(11-14)24-13-23-15;28-20(24-17-12-22-5-3-18(17)26-9-6-21-7-10-26)15-4-8-27(25-15)14-1-2-19-16(11-14)23-13-29-19/h2-6,9,14-15,23H,7-8,10-13H2,1H3,(H,25,30);2*1-6,9,12-14,22H,7-8,10-11H2,(H,24,28);1-5,8,11-13,21H,6-7,9-10H2,(H,23,24)(H,25,29);1-5,8,11-13,21H,6-7,9-10H2,(H,24,28).

What are the key properties of 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?

1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 2006.34 g/mol, XLogP of 11.92, 20 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 161471898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).