6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide

C58H76FN11O7 — CID 144695719

About 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide

6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide (PubChem CID 144695719) has the molecular formula C58H76FN11O7 and a molecular weight of 1058.31 g/mol. Its IUPAC name is 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide.

Molecular Properties

• Compound Name: 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide
• PubChem CID: 144695719
• Molecular Formula: C58H76FN11O7
• Molecular Weight: 1058.31 g/mol
• Exact Mass: 1057.59
• IUPAC Name: 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide
• SMILES: CC.CC.CCN(C)C(=O)/C(=C\C(C)(C)C)Nc1ccc(C(=O)N2CCOCC2)cn1.Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
• InChI: InChI=1S/C34H34FN7O4.C20H30N4O3.2C2H6/c1-20-24(7-6-8-28(20)42-33(45)30-22(19-37-42)15-23(16-25(30)35)34(2,3)4)26-17-27(32(44)40(5)39-26)38-29-10-9-21(18-36-29)31(43)41-11-13-46-14-12-41;1-6-23(5)19(26)16(13-20(2,3)4)22-17-8-7-15(14-21-17)18(25)24-9-11-27-12-10-24;2*1-2/h6-10,15-19H,11-14H2,1-5H3,(H,36,38);7-8,13-14H,6,9-12H2,1-5H3,(H,21,22);2*1-2H3/b;16-13+
• InChIKey: WYHPJSRHVNQRED-FLDYAGOFSA-N
• XLogP: 8.93
• TPSA: 199.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.31
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide?

The IUPAC name of 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide (CID 144695719) is 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide.

What is the SMILES notation for 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide?

The canonical SMILES for 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide is CC.CC.CCN(C)C(=O)/C(=C\C(C)(C)C)Nc1ccc(C(=O)N2CCOCC2)cn1.Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O.

What is the InChIKey of 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide?

The InChIKey is WYHPJSRHVNQRED-FLDYAGOFSA-N. The full InChI is InChI=1S/C34H34FN7O4.C20H30N4O3.2C2H6/c1-20-24(7-6-8-28(20)42-33(45)30-22(19-37-42)15-23(16-25(30)35)34(2,3)4)26-17-27(32(44)40(5)39-26)38-29-10-9-21(18-36-29)31(43)41-11-13-46-14-12-41;1-6-23(5)19(26)16(13-20(2,3)4)22-17-8-7-15(14-21-17)18(25)24-9-11-27-12-10-24;2*1-2/h6-10,15-19H,11-14H2,1-5H3,(H,36,38);7-8,13-14H,6,9-12H2,1-5H3,(H,21,22);2*1-2H3/b;16-13+;;.

What are the key properties of 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide?

6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide has a molecular weight of 1058.31 g/mol, XLogP of 8.93, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one;ethane;(E)-N-ethyl-N,4,4-trimethyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pent-2-enamide is sourced from PubChem (CID 144695719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).