2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C98H97F11N20O12 — CID 158353972

About 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158353972) has the molecular formula C98H97F11N20O12 and a molecular weight of 1955.96 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 158353972
• Molecular Formula: C98H97F11N20O12
• Molecular Weight: 1955.96 g/mol
• Exact Mass: 1954.74
• IUPAC Name: 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: CCn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)c1=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn(CC(F)F)c(=O)c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
• InChI: InChI=1S/C25H23F5N4O3.C25H25F3N4O3.C25H27N7O3.C23H22F3N5O3/c1-15-5-6-18(31-23(35)16-3-2-4-17(11-16)25(28,29)30)12-19(15)20-13-34(14-21(26)27)24(36)22(32-20)33-7-9-37-10-8-33;1-3-31-15-21(30-22(24(31)34)32-9-11-35-12-10-32)20-14-19(8-7-16(20)2)29-23(33)17-5-4-6-18(13-17)25(26,27)28;1-16-19(20-13-21(24(34)31(4)30-20)32-7-9-35-10-8-32)12-18(14-28-16)29-23(33)17-5-6-27-22(11-17)25(2,3)15-26;1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33)30(2)29-18)31-7-9-34-10-8-31/h2-6,11-13,21H,7-10,14H2,1H3,(H,31,35);4-8,13-15H,3,9-12H2,1-2H3,(H,29,33);5-6,11-14H,7-10H2,1-4H3,(H,29,33);3-6,11-13H,7-10H2,1-2H3,(H,28,32)
• InChIKey: GSQQCLBWWNMRPJ-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 368.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1955.96
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158353972) is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)c1=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn(CC(F)F)c(=O)c(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.

What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is GSQQCLBWWNMRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N4O3.C25H25F3N4O3.C25H27N7O3.C23H22F3N5O3/c1-15-5-6-18(31-23(35)16-3-2-4-17(11-16)25(28,29)30)12-19(15)20-13-34(14-21(26)27)24(36)22(32-20)33-7-9-37-10-8-33;1-3-31-15-21(30-22(24(31)34)32-9-11-35-12-10-32)20-14-19(8-7-16(20)2)29-23(33)17-5-4-6-18(13-17)25(26,27)28;1-16-19(20-13-21(24(34)31(4)30-20)32-7-9-35-10-8-32)12-18(14-28-16)29-23(33)17-5-6-27-22(11-17)25(2,3)15-26;1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33)30(2)29-18)31-7-9-34-10-8-31/h2-6,11-13,21H,7-10,14H2,1H3,(H,31,35);4-8,13-15H,3,9-12H2,1-2H3,(H,29,33);5-6,11-14H,7-10H2,1-4H3,(H,29,33);3-6,11-13H,7-10H2,1-2H3,(H,28,32).

What are the key properties of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1955.96 g/mol, XLogP of 14.63, 20 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[3-[4-(2,2-difluoroethyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(4-ethyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158353972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).