N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C47H47F4N11O6 — CID 130425793

About N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 130425793) has the molecular formula C47H47F4N11O6 and a molecular weight of 937.96 g/mol. Its IUPAC name is N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
• PubChem CID: 130425793
• Molecular Formula: C47H47F4N11O6
• Molecular Weight: 937.96 g/mol
• Exact Mass: 937.36
• IUPAC Name: N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
• SMILES: COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOC(COc2nnc(-c3cc(NC(=O)c4cnnc(C(F)(F)F)c4)ccc3C)cc2N2CCOCC2)C1
• InChI: InChI=1S/C47H47F4N11O6/c1-27-6-8-31(54-42(63)29-10-11-52-40(18-29)46(3,4)48)20-34(27)36-22-38(44(65-5)59-56-36)62-14-17-67-33(25-62)26-68-45-39(61-12-15-66-16-13-61)23-37(57-60-45)35-21-32(9-7-28(35)2)55-43(64)30-19-41(47(49,50)51)58-53-24-30/h6-11,18-24,33H,12-17,25-26H2,1-5H3,(H,54,63)(H,55,64)
• InChIKey: WANYJFZCEDCGSQ-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 191.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.96
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

The IUPAC name of N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 130425793) is N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

What is the SMILES notation for N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

The canonical SMILES for N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOC(COc2nnc(-c3cc(NC(=O)c4cnnc(C(F)(F)F)c4)ccc3C)cc2N2CCOCC2)C1.

What is the InChIKey of N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

The InChIKey is WANYJFZCEDCGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H47F4N11O6/c1-27-6-8-31(54-42(63)29-10-11-52-40(18-29)46(3,4)48)20-34(27)36-22-38(44(65-5)59-56-36)62-14-17-67-33(25-62)26-68-45-39(61-12-15-66-16-13-61)23-37(57-60-45)35-21-32(9-7-28(35)2)55-43(64)30-19-41(47(49,50)51)58-53-24-30/h6-11,18-24,33H,12-17,25-26H2,1-5H3,(H,54,63)(H,55,64).

What are the key properties of N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?

N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 937.96 g/mol, XLogP of 7.26, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 130425793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).