N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

C88H88Cl4N28O9S — CID 158642280

About N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 158642280) has the molecular formula C88H88Cl4N28O9S and a molecular weight of 1855.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
• PubChem CID: 158642280
• Molecular Formula: C88H88Cl4N28O9S
• Molecular Weight: 1855.74 g/mol
• Exact Mass: 1852.58
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCSCC1
• InChI: InChI=1S/C23H24ClN7O2.C22H22ClN7O3.C22H22ClN7O2S.C21H20ClN7O2/c1-30-21(18(14-27-30)23(33)28-19-10-9-17(24)13-26-19)29-22(32)16-7-5-15(6-8-16)20(25)31-11-3-2-4-12-31;2*1-29-20(17(13-26-29)22(32)27-18-7-6-16(23)12-25-18)28-21(31)15-4-2-14(3-5-15)19(24)30-8-10-33-11-9-30;1-28-10-9-23-18(28)13-3-5-14(6-4-13)20(30)27-19-16(12-25-29(19)2)21(31)26-17-8-7-15(22)11-24-17/h5-10,13-14,25H,2-4,11-12H2,1H3,(H,29,32)(H,26,28,33);2*2-7,12-13,24H,8-11H2,1H3,(H,28,31)(H,25,27,32);3-8,11-12H,9-10H2,1-2H3,(H,27,30)(H,24,26,31)/b25-20-;2*24-19-
• InChIKey: IANQVGVYSDPALO-SZDNYOCMSA-N
• XLogP: 12.43
• TPSA: 461.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1855.74
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 158642280) is N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is CN1CCN=C1c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCSCC1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

The InChIKey is IANQVGVYSDPALO-SZDNYOCMSA-N. The full InChI is InChI=1S/C23H24ClN7O2.C22H22ClN7O3.C22H22ClN7O2S.C21H20ClN7O2/c1-30-21(18(14-27-30)23(33)28-19-10-9-17(24)13-26-19)29-22(32)16-7-5-15(6-8-16)20(25)31-11-3-2-4-12-31;2*1-29-20(17(13-26-29)22(32)27-18-7-6-16(23)12-25-18)28-21(31)15-4-2-14(3-5-15)19(24)30-8-10-33-11-9-30;1-28-10-9-23-18(28)13-3-5-14(6-4-13)20(30)27-19-16(12-25-29(19)2)21(31)26-17-8-7-15(22)11-24-17/h5-10,13-14,25H,2-4,11-12H2,1H3,(H,29,32)(H,26,28,33);2*2-7,12-13,24H,8-11H2,1H3,(H,28,31)(H,25,27,32);3-8,11-12H,9-10H2,1-2H3,(H,27,30)(H,24,26,31)/b25-20-;2*24-19-;.

What are the key properties of N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide has a molecular weight of 1855.74 g/mol, XLogP of 12.43, 20 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 158642280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).