7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one

C107H113F2N21O11 — CID 162193864

IUPAC7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCN(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N(C)C)C4)ccc3c2)cc1F.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3c2)cc1F.COc1cnc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN6CCC[C@@H]6C5)ccc4n3)cc2o1
InChIInChI=1S/C23H23N5O2.C22H24FN3O2.C22H23N5O2.C21H22FN3O2.C19H21N5O3/c1-15-24-19-6-4-16(11-21(19)30-15)20-12-23(29)28-14-18(5-7-22(28)25-20)27-10-9-26-8-2-3-17(26)13-27;1-24(2)18-8-9-25(13-18)19-6-5-17-10-16(12-22(27)26(17)14-19)15-4-7-21(28-3)20(23)11-15;1-3-25-8-10-26(11-9-25)17-5-7-21-24-19(13-22(28)27(21)14-17)16-4-6-18-20(12-16)29-15(2)23-18;1-27-20-5-2-14(11-19(20)22)15-10-17-3-4-18(13-25(17)21(26)12-15)24-8-6-16(23)7-9-24;1-26-16-9-14(21-11-17(16)27-2)15-10-19(25)24-12-13(3-4-18(24)22-15)23-7-5-20-6-8-23/h4-7,11-12,14,17H,2-3,8-10,13H2,1H3;4-7,10-12,14,18H,8-9,13H2,1-3H3;4-7,12-14H,3,8-11H2,1-2H3;2-5,10-13,16H,6-9,23H2,1H3;3-4,9-12,20H,5-8H2,1-2H3/t17-;;;;/m1..../s1
InChIKeyZQRJAVNAEXULEZ-GIZSFIMASA-N
MW1907.21 g/mol
LogP13.53
Rot. Bonds16

About 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one

7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 162193864) has the molecular formula C107H113F2N21O11 and a molecular weight of 1907.21 g/mol. Its IUPAC name is 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID162193864
Molecular FormulaC107H113F2N21O11
Molecular Weight1907.21 g/mol
Exact Mass1905.89
IUPAC Name7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCN(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N(C)C)C4)ccc3c2)cc1F.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3c2)cc1F.COc1cnc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN6CCC[C@@H]6C5)ccc4n3)cc2o1
InChIInChI=1S/C23H23N5O2.C22H24FN3O2.C22H23N5O2.C21H22FN3O2.C19H21N5O3/c1-15-24-19-6-4-16(11-21(19)30-15)20-12-23(29)28-14-18(5-7-22(28)25-20)27-10-9-26-8-2-3-17(26)13-27;1-24(2)18-8-9-25(13-18)19-6-5-17-10-16(12-22(27)26(17)14-19)15-4-7-21(28-3)20(23)11-15;1-3-25-8-10-26(11-9-25)17-5-7-21-24-19(13-22(28)27(21)14-17)16-4-6-18-20(12-16)29-15(2)23-18;1-27-20-5-2-14(11-19(20)22)15-10-17-3-4-18(13-25(17)21(26)12-15)24-8-6-16(23)7-9-24;1-26-16-9-14(21-11-17(16)27-2)15-10-19(25)24-12-13(3-4-18(24)22-15)23-7-5-20-6-8-23/h4-7,11-12,14,17H,2-3,8-10,13H2,1H3;4-7,10-12,14,18H,8-9,13H2,1-3H3;4-7,12-14H,3,8-11H2,1-2H3;2-5,10-13,16H,6-9,23H2,1H3;3-4,9-12,20H,5-8H2,1-2H3/t17-;;;;/m1..../s1
InChIKeyZQRJAVNAEXULEZ-GIZSFIMASA-N
XLogP13.53
TPSA311.91 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.21
LogP ≤ 513.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one (CID 162193864) is 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CCN(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N(C)C)C4)ccc3c2)cc1F.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3c2)cc1F.COc1cnc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN6CCC[C@@H]6C5)ccc4n3)cc2o1.
What is the InChIKey of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZQRJAVNAEXULEZ-GIZSFIMASA-N. The full InChI is InChI=1S/C23H23N5O2.C22H24FN3O2.C22H23N5O2.C21H22FN3O2.C19H21N5O3/c1-15-24-19-6-4-16(11-21(19)30-15)20-12-23(29)28-14-18(5-7-22(28)25-20)27-10-9-26-8-2-3-17(26)13-27;1-24(2)18-8-9-25(13-18)19-6-5-17-10-16(12-22(27)26(17)14-19)15-4-7-21(28-3)20(23)11-15;1-3-25-8-10-26(11-9-25)17-5-7-21-24-19(13-22(28)27(21)14-17)16-4-6-18-20(12-16)29-15(2)23-18;1-27-20-5-2-14(11-19(20)22)15-10-17-3-4-18(13-25(17)21(26)12-15)24-8-6-16(23)7-9-24;1-26-16-9-14(21-11-17(16)27-2)15-10-19(25)24-12-13(3-4-18(24)22-15)23-7-5-20-6-8-23/h4-7,11-12,14,17H,2-3,8-10,13H2,1H3;4-7,10-12,14,18H,8-9,13H2,1-3H3;4-7,12-14H,3,8-11H2,1-2H3;2-5,10-13,16H,6-9,23H2,1H3;3-4,9-12,20H,5-8H2,1-2H3/t17-;;;;/m1..../s1.
What are the key properties of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one?
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1907.21 g/mol, XLogP of 13.53, 16 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 162193864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).