6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C78H81ClN20O15 — CID 159152774

About 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 159152774) has the molecular formula C78H81ClN20O15 and a molecular weight of 1574.08 g/mol. Its IUPAC name is 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
• PubChem CID: 159152774
• Molecular Formula: C78H81ClN20O15
• Molecular Weight: 1574.08 g/mol
• Exact Mass: 1572.59
• IUPAC Name: 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
• SMILES: COCCOCCn1cc(NC(=O)c2cccc(-c3ccn[nH]3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cncc(C)c3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cnn(-c4cccc(Cl)c4)c3)n2)c(-c2ccccn2)n1.O=CO.O=CO.O=CO
• InChI: InChI=1S/C28H26ClN7O3.C25H26N6O3.C22H23N7O3.3CH2O2/c1-38-14-15-39-13-12-35-19-26(27(34-35)24-8-2-3-11-30-24)33-28(37)25-10-5-9-23(32-25)20-17-31-36(18-20)22-7-4-6-21(29)16-22;1-18-14-19(16-26-15-18)20-7-5-8-22(28-20)25(32)29-23-17-31(10-11-34-13-12-33-2)30-24(23)21-6-3-4-9-27-21;1-31-13-14-32-12-11-29-15-20(21(28-29)18-5-2-3-9-23-18)26-22(30)19-7-4-6-16(25-19)17-8-10-24-27-17;3*2-1-3/h2-11,16-19H,12-15H2,1H3,(H,33,37);3-9,14-17H,10-13H2,1-2H3,(H,29,32);2-10,15H,11-14H2,1H3,(H,24,27)(H,26,30);3*1H,(H,2,3)
• InChIKey: KJMZWWBMCWEPEW-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 444.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1574.08
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The IUPAC name of 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 159152774) is 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

What is the SMILES notation for 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The canonical SMILES for 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is COCCOCCn1cc(NC(=O)c2cccc(-c3ccn[nH]3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cncc(C)c3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cnn(-c4cccc(Cl)c4)c3)n2)c(-c2ccccn2)n1.O=CO.O=CO.O=CO.

What is the InChIKey of 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The InChIKey is KJMZWWBMCWEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN7O3.C25H26N6O3.C22H23N7O3.3CH2O2/c1-38-14-15-39-13-12-35-19-26(27(34-35)24-8-2-3-11-30-24)33-28(37)25-10-5-9-23(32-25)20-17-31-36(18-20)22-7-4-6-21(29)16-22;1-18-14-19(16-26-15-18)20-7-5-8-22(28-20)25(32)29-23-17-31(10-11-34-13-12-33-2)30-24(23)21-6-3-4-9-27-21;1-31-13-14-32-12-11-29-15-20(21(28-29)18-5-2-3-9-23-18)26-22(30)19-7-4-6-16(25-19)17-8-10-24-27-17;3*2-1-3/h2-11,16-19H,12-15H2,1H3,(H,33,37);3-9,14-17H,10-13H2,1-2H3,(H,29,32);2-10,15H,11-14H2,1H3,(H,24,27)(H,26,30);3*1H,(H,2,3).

What are the key properties of 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 1574.08 g/mol, XLogP of 10.14, 31 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 159152774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).