6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C85H94F3N21O13 — CID 158808442

About 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 158808442) has the molecular formula C85H94F3N21O13 and a molecular weight of 1674.81 g/mol. Its IUPAC name is 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• PubChem CID: 158808442
• Molecular Formula: C85H94F3N21O13
• Molecular Weight: 1674.81 g/mol
• Exact Mass: 1673.73
• IUPAC Name: 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• SMILES: COCCOCCn1cc(NC(=O)c2cccc(Cc3cc(C)ncc3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(Cc3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(-c2ccccn2)n1.O=CO.O=CO.O=CO
• InChI: InChI=1S/C31H35F3N8O3.C27H30N6O3.C24H23N7O.3CH2O2/c1-40-10-12-41(13-11-40)29-24(31(32,33)34)19-22(20-36-29)18-23-6-5-8-26(37-23)30(43)38-27-21-42(14-15-45-17-16-44-2)39-28(27)25-7-3-4-9-35-25;1-19-17-29-20(2)15-21(19)16-22-7-6-9-24(30-22)27(34)31-25-18-33(11-12-36-14-13-35-3)32-26(25)23-8-4-5-10-28-23;1-31-15-21(23(30-31)19-5-2-3-11-25-19)29-24(32)20-7-4-6-18(28-20)17-10-12-26-22(13-17)27-14-16-8-9-16;3*2-1-3/h3-9,19-21H,10-18H2,1-2H3,(H,38,43);4-10,15,17-18H,11-14,16H2,1-3H3,(H,31,34);2-7,10-13,15-16H,8-9,14H2,1H3,(H,26,27)(H,29,32);3*1H,(H,2,3)
• InChIKey: IUJJHSFZGKRZCM-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 424.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1674.81
LogP ≤ 5	10.99
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-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The IUPAC name of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 158808442) is 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is COCCOCCn1cc(NC(=O)c2cccc(Cc3cc(C)ncc3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(Cc3cnc(N4CCN(C)CC4)c(C(F)(F)F)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(-c2ccccn2)n1.O=CO.O=CO.O=CO.

What is the InChIKey of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The InChIKey is IUJJHSFZGKRZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F3N8O3.C27H30N6O3.C24H23N7O.3CH2O2/c1-40-10-12-41(13-11-40)29-24(31(32,33)34)19-22(20-36-29)18-23-6-5-8-26(37-23)30(43)38-27-21-42(14-15-45-17-16-44-2)39-28(27)25-7-3-4-9-35-25;1-19-17-29-20(2)15-21(19)16-22-7-6-9-24(30-22)27(34)31-25-18-33(11-12-36-14-13-35-3)32-26(25)23-8-4-5-10-28-23;1-31-15-21(23(30-31)19-5-2-3-11-25-19)29-24(32)20-7-4-6-18(28-20)17-10-12-26-22(13-17)27-14-16-8-9-16;3*2-1-3/h3-9,19-21H,10-18H2,1-2H3,(H,38,43);4-10,15,17-18H,11-14,16H2,1-3H3,(H,31,34);2-7,10-13,15-16H,8-9,14H2,1H3,(H,26,27)(H,29,32);3*1H,(H,2,3).

What are the key properties of 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 1674.81 g/mol, XLogP of 10.99, 30 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-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-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 158808442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).