5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide

C107H95N31O11 — CID 159749636

About 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide

5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 159749636) has the molecular formula C107H95N31O11 and a molecular weight of 1991.14 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide
• PubChem CID: 159749636
• Molecular Formula: C107H95N31O11
• Molecular Weight: 1991.14 g/mol
• Exact Mass: 1989.78
• IUPAC Name: 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide
• SMILES: COCCn1cc(NC(=O)c2cccc(-c3ccncc3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cncc(-c3cccnc3)c2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cncc(-c3ccncc3)c2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cncc(-c3cnn(CC4CC4)c3)c2)c(-c2ccccn2)n1.O=C(Nc1cn(CCO)nc1-c1ccccn1)c1cccc(-c2ccncc2)n1.O=CO.O=CO
• InChI: InChI=1S/C22H21N7O.C22H20N6O2.C21H18N6O2.2C20H16N6O.2CH2O2/c1-28-14-20(21(27-28)19-4-2-3-7-24-19)26-22(30)17-8-16(9-23-10-17)18-11-25-29(13-18)12-15-5-6-15;1-30-14-13-28-15-20(21(27-28)18-5-2-3-10-24-18)26-22(29)19-7-4-6-17(25-19)16-8-11-23-12-9-16;28-13-12-27-14-19(20(26-27)17-4-1-2-9-23-17)25-21(29)18-6-3-5-16(24-18)15-7-10-22-11-8-15;1-26-13-18(19(25-26)17-6-2-3-8-23-17)24-20(27)16-9-15(11-22-12-16)14-5-4-7-21-10-14;1-26-13-18(19(25-26)17-4-2-3-7-23-17)24-20(27)16-10-15(11-22-12-16)14-5-8-21-9-6-14;2*2-1-3/h2-4,7-11,13-15H,5-6,12H2,1H3,(H,26,30);2-12,15H,13-14H2,1H3,(H,26,29);1-11,14,28H,12-13H2,(H,25,29);2*2-13H,1H3,(H,24,27);2*1H,(H,2,3)
• InChIKey: NDMIBNGIFQEZLB-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 536.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1991.14
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide?

The IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide (CID 159749636) is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide.

What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide?

The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide is COCCn1cc(NC(=O)c2cccc(-c3ccncc3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cncc(-c3cccnc3)c2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cncc(-c3ccncc3)c2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cncc(-c3cnn(CC4CC4)c3)c2)c(-c2ccccn2)n1.O=C(Nc1cn(CCO)nc1-c1ccccn1)c1cccc(-c2ccncc2)n1.O=CO.O=CO.

What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide?

The InChIKey is NDMIBNGIFQEZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O.C22H20N6O2.C21H18N6O2.2C20H16N6O.2CH2O2/c1-28-14-20(21(27-28)19-4-2-3-7-24-19)26-22(30)17-8-16(9-23-10-17)18-11-25-29(13-18)12-15-5-6-15;1-30-14-13-28-15-20(21(27-28)18-5-2-3-10-24-18)26-22(29)19-7-4-6-17(25-19)16-8-11-23-12-9-16;28-13-12-27-14-19(20(26-27)17-4-1-2-9-23-17)25-21(29)18-6-3-5-16(24-18)15-7-10-22-11-8-15;1-26-13-18(19(25-26)17-6-2-3-8-23-17)24-20(27)16-9-15(11-22-12-16)14-5-4-7-21-10-14;1-26-13-18(19(25-26)17-4-2-3-7-23-17)24-20(27)16-10-15(11-22-12-16)14-5-8-21-9-6-14;2*2-1-3/h2-4,7-11,13-15H,5-6,12H2,1H3,(H,26,30);2-12,15H,13-14H2,1H3,(H,26,29);1-11,14,28H,12-13H2,(H,25,29);2*2-13H,1H3,(H,24,27);2*1H,(H,2,3).

What are the key properties of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide?

5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 1991.14 g/mol, XLogP of 15.13, 27 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-3-carboxamide;formic acid;N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-3-ylpyridine-3-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 159749636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).