ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C58H53F6N17O8 — CID 157212075

About ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 157212075) has the molecular formula C58H53F6N17O8 and a molecular weight of 1230.16 g/mol. Its IUPAC name is ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
• PubChem CID: 157212075
• Molecular Formula: C58H53F6N17O8
• Molecular Weight: 1230.16 g/mol
• Exact Mass: 1229.42
• IUPAC Name: ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
• SMILES: CCOC(=O)c1cc2c(nc1NC(=O)c1ccc(-n3ccnc3)nn1)CCN(C)C2.COC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3ccnc3)nn1)CCCC2.Cc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(O)(C(F)(F)F)C(F)(F)F)c1
• InChI: InChI=1S/C20H21N7O3.C20H19N5O3.C18H13F6N5O2/c1-3-30-20(29)14-10-13-11-26(2)8-6-15(13)22-18(14)23-19(28)16-4-5-17(25-24-16)27-9-7-21-12-27;1-28-20(27)15-10-13-4-2-3-5-14(13)11-17(15)22-19(26)16-6-7-18(24-23-16)25-9-8-21-12-25;1-10-2-3-12(11(8-10)16(31,17(19,20)21)18(22,23)24)26-15(30)13-4-5-14(28-27-13)29-7-6-25-9-29/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,22,23,28);6-12H,2-5H2,1H3,(H,22,26);2-9,31H,1H3,(H,26,30)
• InChIKey: ARZSGAYYNDTOQQ-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 307.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1230.16
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The IUPAC name of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 157212075) is ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

What is the SMILES notation for ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The canonical SMILES for ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is CCOC(=O)c1cc2c(nc1NC(=O)c1ccc(-n3ccnc3)nn1)CCN(C)C2.COC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3ccnc3)nn1)CCCC2.Cc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(O)(C(F)(F)F)C(F)(F)F)c1.

What is the InChIKey of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The InChIKey is ARZSGAYYNDTOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3.C20H19N5O3.C18H13F6N5O2/c1-3-30-20(29)14-10-13-11-26(2)8-6-15(13)22-18(14)23-19(28)16-4-5-17(25-24-16)27-9-7-21-12-27;1-28-20(27)15-10-13-4-2-3-5-14(13)11-17(15)22-19(26)16-6-7-18(24-23-16)25-9-8-21-12-25;1-10-2-3-12(11(8-10)16(31,17(19,20)21)18(22,23)24)26-15(30)13-4-5-14(28-27-13)29-7-6-25-9-29/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,22,23,28);6-12H,2-5H2,1H3,(H,22,26);2-9,31H,1H3,(H,26,30).

What are the key properties of ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?

ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 1230.16 g/mol, XLogP of 7.59, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 157212075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).