2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C101H104F2N26O7 — CID 159431293

IUPAC2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1.COc1cc(F)cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)c1.C[C@H]1CN(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CCN1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cc(C)c2n1.Cn1cc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1
InChIInChI=1S/2C21H22N6O.C20H21FN4O2.C20H20N6O.C19H19FN4O2/c1-14-11-26(8-7-22-14)17-4-6-20-23-19(10-21(28)27(20)13-17)15-3-5-18-16(9-15)12-25(2)24-18;1-14-9-16(12-26-11-15(2)23-21(14)26)18-10-20(28)27-13-17(3-4-19(27)24-18)25-7-5-22-6-8-25;1-13-11-24(6-5-22-13)16-3-4-19-23-18(10-20(26)25(19)12-16)14-7-15(21)9-17(8-14)27-2;1-24-12-15-10-14(2-4-17(15)23-24)18-11-20(27)26-13-16(3-5-19(26)22-18)25-8-6-21-7-9-25;1-26-16-9-13(8-14(20)10-16)17-11-19(25)24-12-15(2-3-18(24)22-17)23-6-4-21-5-7-23/h3-6,9-10,12-14,22H,7-8,11H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3;3-4,7-10,12-13,22H,5-6,11H2,1-2H3;2-5,10-13,21H,6-9H2,1H3;2-3,8-12,21H,4-7H2,1H3/t14-;;13-;;/m0.0../s1
InChIKeyLRABPMVTYILSGP-GTGRXVMOSA-N
MW1832.11 g/mol
LogP9.97
Rot. Bonds12

About 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 159431293) has the molecular formula C101H104F2N26O7 and a molecular weight of 1832.11 g/mol. Its IUPAC name is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID159431293
Molecular FormulaC101H104F2N26O7
Molecular Weight1832.11 g/mol
Exact Mass1830.85
IUPAC Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1.COc1cc(F)cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)c1.C[C@H]1CN(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CCN1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cc(C)c2n1.Cn1cc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1
InChIInChI=1S/2C21H22N6O.C20H21FN4O2.C20H20N6O.C19H19FN4O2/c1-14-11-26(8-7-22-14)17-4-6-20-23-19(10-21(28)27(20)13-17)15-3-5-18-16(9-15)12-25(2)24-18;1-14-9-16(12-26-11-15(2)23-21(14)26)18-10-20(28)27-13-17(3-4-19(27)24-18)25-7-5-22-6-8-25;1-13-11-24(6-5-22-13)16-3-4-19-23-18(10-20(26)25(19)12-16)14-7-15(21)9-17(8-14)27-2;1-24-12-15-10-14(2-4-17(15)23-24)18-11-20(27)26-13-16(3-5-19(26)22-18)25-8-6-21-7-9-25;1-26-16-9-13(8-14(20)10-16)17-11-19(25)24-12-15(2-3-18(24)22-17)23-6-4-21-5-7-23/h3-6,9-10,12-14,22H,7-8,11H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3;3-4,7-10,12-13,22H,5-6,11H2,1-2H3;2-5,10-13,21H,6-9H2,1H3;2-3,8-12,21H,4-7H2,1H3/t14-;;13-;;/m0.0../s1
InChIKeyLRABPMVTYILSGP-GTGRXVMOSA-N
XLogP9.97
TPSA319.60 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds12
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.11
LogP ≤ 59.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 159431293) is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is COc1cc(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1.COc1cc(F)cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)c1.C[C@H]1CN(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CCN1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cc(C)c2n1.Cn1cc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.
What is the InChIKey of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LRABPMVTYILSGP-GTGRXVMOSA-N. The full InChI is InChI=1S/2C21H22N6O.C20H21FN4O2.C20H20N6O.C19H19FN4O2/c1-14-11-26(8-7-22-14)17-4-6-20-23-19(10-21(28)27(20)13-17)15-3-5-18-16(9-15)12-25(2)24-18;1-14-9-16(12-26-11-15(2)23-21(14)26)18-10-20(28)27-13-17(3-4-19(27)24-18)25-7-5-22-6-8-25;1-13-11-24(6-5-22-13)16-3-4-19-23-18(10-20(26)25(19)12-16)14-7-15(21)9-17(8-14)27-2;1-24-12-15-10-14(2-4-17(15)23-24)18-11-20(27)26-13-16(3-5-19(26)22-18)25-8-6-21-7-9-25;1-26-16-9-13(8-14(20)10-16)17-11-19(25)24-12-15(2-3-18(24)22-17)23-6-4-21-5-7-23/h3-6,9-10,12-14,22H,7-8,11H2,1-2H3;3-4,9-13,22H,5-8H2,1-2H3;3-4,7-10,12-13,22H,5-6,11H2,1-2H3;2-5,10-13,21H,6-9H2,1H3;2-3,8-12,21H,4-7H2,1H3/t14-;;13-;;/m0.0../s1.
What are the key properties of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1832.11 g/mol, XLogP of 9.97, 12 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159431293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).