3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one

C109H115F2N15O14S2 — CID 159802096

IUPAC3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one
SMILESCOc1cc2c(cc1-c1ccco1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1cccs1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1cnn(C(C)C)c1)CN(C(C)C)n1cc(C)c(=O)cc1-2.COc1cc2c(cc1-c1cnn(C(F)F)c1)CN(C(C)C)n1cc(C)c(=O)cc1-2.COc1cc2c(cc1-c1nccs1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2
InChIInChI=1S/C23H28N4O2.C22H22N2O4.C22H22N2O3S.C21H22F2N4O2.C21H21N3O3S/c1-14(2)25-12-18(10-24-25)20-7-17-13-26(15(3)4)27-11-16(5)22(28)9-21(27)19(17)8-23(20)29-6;1-13(2)23-11-15-8-17(21-6-5-7-28-21)22(27-4)9-16(15)19-10-20(26)18(14(3)25)12-24(19)23;1-13(2)23-11-15-8-17(22-6-5-7-28-22)21(27-4)9-16(15)19-10-20(26)18(14(3)25)12-24(19)23;1-12(2)26-11-14-5-17(15-8-24-25(10-15)21(22)23)20(29-4)6-16(14)18-7-19(28)13(3)9-27(18)26;1-12(2)23-10-14-7-16(21-22-5-6-28-21)20(27-4)8-15(14)18-9-19(26)17(13(3)25)11-24(18)23/h7-12,14-15H,13H2,1-6H3;2*5-10,12-13H,11H2,1-4H3;5-10,12,21H,11H2,1-4H3;5-9,11-12H,10H2,1-4H3
InChIKeyNJXQIZVLUISSJD-UHFFFAOYSA-N
MW1961.34 g/mol
LogP19.96
Rot. Bonds20

About 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one

3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one (PubChem CID 159802096) has the molecular formula C109H115F2N15O14S2 and a molecular weight of 1961.34 g/mol. Its IUPAC name is 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one.

Molecular Properties

Compound Name3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one
PubChem CID159802096
Molecular FormulaC109H115F2N15O14S2
Molecular Weight1961.34 g/mol
Exact Mass1959.82
IUPAC Name3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one
SMILESCOc1cc2c(cc1-c1ccco1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1cccs1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1cnn(C(C)C)c1)CN(C(C)C)n1cc(C)c(=O)cc1-2.COc1cc2c(cc1-c1cnn(C(F)F)c1)CN(C(C)C)n1cc(C)c(=O)cc1-2.COc1cc2c(cc1-c1nccs1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2
InChIInChI=1S/C23H28N4O2.C22H22N2O4.C22H22N2O3S.C21H22F2N4O2.C21H21N3O3S/c1-14(2)25-12-18(10-24-25)20-7-17-13-26(15(3)4)27-11-16(5)22(28)9-21(27)19(17)8-23(20)29-6;1-13(2)23-11-15-8-17(21-6-5-7-28-21)22(27-4)9-16(15)19-10-20(26)18(14(3)25)12-24(19)23;1-13(2)23-11-15-8-17(22-6-5-7-28-22)21(27-4)9-16(15)19-10-20(26)18(14(3)25)12-24(19)23;1-12(2)26-11-14-5-17(15-8-24-25(10-15)21(22)23)20(29-4)6-16(14)18-7-19(28)13(3)9-27(18)26;1-12(2)23-10-14-7-16(21-22-5-6-28-21)20(27-4)8-15(14)18-9-19(26)17(13(3)25)11-24(18)23/h7-12,14-15H,13H2,1-6H3;2*5-10,12-13H,11H2,1-4H3;5-10,12,21H,11H2,1-4H3;5-9,11-12H,10H2,1-4H3
InChIKeyNJXQIZVLUISSJD-UHFFFAOYSA-N
XLogP19.96
TPSA285.23 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms142
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001961.34
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one?
The IUPAC name of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one (CID 159802096) is 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one.
What is the SMILES notation for 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one?
The canonical SMILES for 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one is COc1cc2c(cc1-c1ccco1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1cccs1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.COc1cc2c(cc1-c1cnn(C(C)C)c1)CN(C(C)C)n1cc(C)c(=O)cc1-2.COc1cc2c(cc1-c1cnn(C(F)F)c1)CN(C(C)C)n1cc(C)c(=O)cc1-2.COc1cc2c(cc1-c1nccs1)CN(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.
What is the InChIKey of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one?
The InChIKey is NJXQIZVLUISSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C22H22N2O4.C22H22N2O3S.C21H22F2N4O2.C21H21N3O3S/c1-14(2)25-12-18(10-24-25)20-7-17-13-26(15(3)4)27-11-16(5)22(28)9-21(27)19(17)8-23(20)29-6;1-13(2)23-11-15-8-17(21-6-5-7-28-21)22(27-4)9-16(15)19-10-20(26)18(14(3)25)12-24(19)23;1-13(2)23-11-15-8-17(22-6-5-7-28-22)21(27-4)9-16(15)19-10-20(26)18(14(3)25)12-24(19)23;1-12(2)26-11-14-5-17(15-8-24-25(10-15)21(22)23)20(29-4)6-16(14)18-7-19(28)13(3)9-27(18)26;1-12(2)23-10-14-7-16(21-22-5-6-28-21)20(27-4)8-15(14)18-9-19(26)17(13(3)25)11-24(18)23/h7-12,14-15H,13H2,1-6H3;2*5-10,12-13H,11H2,1-4H3;5-10,12,21H,11H2,1-4H3;5-9,11-12H,10H2,1-4H3.
What are the key properties of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one?
3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one has a molecular weight of 1961.34 g/mol, XLogP of 19.96, 20 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one is sourced from PubChem (CID 159802096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).