3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one

C133H159Cl3F8N12O27 — CID 162257976

About 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one

3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one (PubChem CID 162257976) has the molecular formula C133H159Cl3F8N12O27 and a molecular weight of 2616.13 g/mol. Its IUPAC name is 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one.

Molecular Properties

• Compound Name: 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
• PubChem CID: 162257976
• Molecular Formula: C133H159Cl3F8N12O27
• Molecular Weight: 2616.13 g/mol
• Exact Mass: 2613.04
• IUPAC Name: 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
• SMILES: COCCCOc1cc2c(cc1Cl)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)(C)C(F)F)C2.COCCCOc1cc2c(cc1Cl)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)C)C2.COCCCOc1cc2c(cc1Cl)-c1cc(=O)c(C(C)=O)cn1N(C(C)(C)C)C2.COCCCOc1cc2c(cc1OC)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)(C)C(F)F)C2.COCCCOc1cc2c(cc1OC)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)C)C2.COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(C)=O)cn1N(C(C)(C)C)C2
• InChI: InChI=1S/C23H27F3N2O5.C23H30N2O5.C22H24ClF3N2O4.C22H27ClN2O4.C22H27FN2O5.C21H24ClFN2O4/c1-13(29)16-12-27-20(19(24)21(16)30)15-10-17(32-5)18(33-8-6-7-31-4)9-14(15)11-28(27)23(2,3)22(25)26;1-15(26)18-14-24-19(12-20(18)27)17-11-21(29-6)22(30-9-7-8-28-5)10-16(17)13-25(24)23(2,3)4;1-12(29)15-11-27-19(18(24)20(15)30)14-9-16(23)17(32-7-5-6-31-4)8-13(14)10-28(27)22(2,3)21(25)26;1-14(26)17-13-24-19(11-20(17)27)16-10-18(23)21(29-8-6-7-28-5)9-15(16)12-25(24)22(2,3)4;1-13(2)24-11-15-9-19(30-8-6-7-28-4)18(29-5)10-16(15)21-20(23)22(27)17(14(3)26)12-25(21)24;1-12(2)24-10-14-8-18(29-7-5-6-28-4)17(22)9-15(14)20-19(23)21(27)16(13(3)26)11-25(20)24/h9-10,12,22H,6-8,11H2,1-5H3;10-12,14H,7-9,13H2,1-6H3;8-9,11,21H,5-7,10H2,1-4H3;9-11,13H,6-8,12H2,1-5H3;9-10,12-13H,6-8,11H2,1-5H3;8-9,11-12H,5-7,10H2,1-4H3
• InChIKey: ZYVSTHSVNAGLLB-UHFFFAOYSA-N
• XLogP: 22.55
• TPSA: 392.31 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 45
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2616.13
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?

The IUPAC name of 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one (CID 162257976) is 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one.

What is the SMILES notation for 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?

The canonical SMILES for 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one is COCCCOc1cc2c(cc1Cl)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)(C)C(F)F)C2.COCCCOc1cc2c(cc1Cl)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)C)C2.COCCCOc1cc2c(cc1Cl)-c1cc(=O)c(C(C)=O)cn1N(C(C)(C)C)C2.COCCCOc1cc2c(cc1OC)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)(C)C(F)F)C2.COCCCOc1cc2c(cc1OC)-c1c(F)c(=O)c(C(C)=O)cn1N(C(C)C)C2.COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(C)=O)cn1N(C(C)(C)C)C2.

What is the InChIKey of 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?

The InChIKey is ZYVSTHSVNAGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O5.C23H30N2O5.C22H24ClF3N2O4.C22H27ClN2O4.C22H27FN2O5.C21H24ClFN2O4/c1-13(29)16-12-27-20(19(24)21(16)30)15-10-17(32-5)18(33-8-6-7-31-4)9-14(15)11-28(27)23(2,3)22(25)26;1-15(26)18-14-24-19(12-20(18)27)17-11-21(29-6)22(30-9-7-8-28-5)10-16(17)13-25(24)23(2,3)4;1-12(29)15-11-27-19(18(24)20(15)30)14-9-16(23)17(32-7-5-6-31-4)8-13(14)10-28(27)22(2,3)21(25)26;1-14(26)17-13-24-19(11-20(17)27)16-10-18(23)21(29-8-6-7-28-5)9-15(16)12-25(24)22(2,3)4;1-13(2)24-11-15-9-19(30-8-6-7-28-4)18(29-5)10-16(15)21-20(23)22(27)17(14(3)26)12-25(21)24;1-12(2)24-10-14-8-18(29-7-5-6-28-4)17(22)9-15(14)20-19(23)21(27)16(13(3)26)11-25(20)24/h9-10,12,22H,6-8,11H2,1-5H3;10-12,14H,7-9,13H2,1-6H3;8-9,11,21H,5-7,10H2,1-4H3;9-11,13H,6-8,12H2,1-5H3;9-10,12-13H,6-8,11H2,1-5H3;8-9,11-12H,5-7,10H2,1-4H3.

What are the key properties of 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one?

3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one has a molecular weight of 2616.13 g/mol, XLogP of 22.55, 45 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-6-tert-butyl-10-chloro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-6-(1,1-difluoro-2-methylpropan-2-yl)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one is sourced from PubChem (CID 162257976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).