N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C98H93F8N37O12S — CID 157192153

About N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 157192153) has the molecular formula C98H93F8N37O12S and a molecular weight of 2165.12 g/mol. Its IUPAC name is N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 157192153
• Molecular Formula: C98H93F8N37O12S
• Molecular Weight: 2165.12 g/mol
• Exact Mass: 2163.74
• IUPAC Name: N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: CN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.CN(CCO)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.COCCOCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.CS(=O)(=O)CCNCc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)o1
• InChI: InChI=1S/C25H24F2N10O3.C25H24F2N8O4S.C24H22F2N10O2.C24H23F2N9O3/c1-34(8-9-38)22(39)14-35-11-17(10-28-35)16-4-6-21-31-32-24(36(21)12-16)25(26,27)18-5-7-20-29-19(13-37(20)33-18)30-23(40)15-2-3-15;1-40(37,38)11-10-28-12-17-5-6-18(39-17)16-4-8-22-31-32-24(34(22)13-16)25(26,27)19-7-9-21-29-20(14-35(21)33-19)30-23(36)15-2-3-15;1-33(2)21(37)13-34-10-16(9-27-34)15-5-7-20-30-31-23(35(20)11-15)24(25,26)17-6-8-19-28-18(12-36(19)32-17)29-22(38)14-3-4-14;1-37-8-9-38-14-33-11-17(10-27-33)16-4-6-21-30-31-23(34(21)12-16)24(25,26)18-5-7-20-28-19(13-35(20)32-18)29-22(36)15-2-3-15/h4-7,10-13,15,38H,2-3,8-9,14H2,1H3,(H,30,40);4-9,13-15,28H,2-3,10-12H2,1H3,(H,30,36);5-12,14H,3-4,13H2,1-2H3,(H,29,38);4-7,10-13,15H,2-3,8-9,14H2,1H3,(H,29,36)
• InChIKey: APVBCMFIPIWCCO-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 550.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 36
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2165.12
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 157192153) is N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.CN(CCO)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.COCCOCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.CS(=O)(=O)CCNCc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)o1.

What is the InChIKey of N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is APVBCMFIPIWCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N10O3.C25H24F2N8O4S.C24H22F2N10O2.C24H23F2N9O3/c1-34(8-9-38)22(39)14-35-11-17(10-28-35)16-4-6-21-31-32-24(36(21)12-16)25(26,27)18-5-7-20-29-19(13-37(20)33-18)30-23(40)15-2-3-15;1-40(37,38)11-10-28-12-17-5-6-18(39-17)16-4-8-22-31-32-24(34(22)13-16)25(26,27)19-7-9-21-29-20(14-35(21)33-19)30-23(36)15-2-3-15;1-33(2)21(37)13-34-10-16(9-27-34)15-5-7-20-30-31-23(35(20)11-15)24(25,26)17-6-8-19-28-18(12-36(19)32-17)29-22(38)14-3-4-14;1-37-8-9-38-14-33-11-17(10-27-33)16-4-6-21-30-31-23(34(21)12-16)24(25,26)18-5-7-20-28-19(13-35(20)32-18)29-22(36)15-2-3-15/h4-7,10-13,15,38H,2-3,8-9,14H2,1H3,(H,30,40);4-9,13-15,28H,2-3,10-12H2,1H3,(H,30,36);5-12,14H,3-4,13H2,1-2H3,(H,29,38);4-7,10-13,15H,2-3,8-9,14H2,1H3,(H,29,36).

What are the key properties of N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 2165.12 g/mol, XLogP of 9.19, 36 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 157192153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).