2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

C89H93N21O4S — CID 161384701

IUPAC2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(C5CCC(N6CCCC6)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2cn1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2s1
InChIInChI=1S/C26H29N5O.C22H22N4OS.C21H21N5O.C20H21N7O/c1-18-15-30-16-21(7-10-24(30)27-18)23-14-26(32)31-17-20(6-11-25(31)28-23)19-4-8-22(9-5-19)29-12-2-3-13-29;1-14-23-18-5-3-16(11-20(18)28-14)19-12-22(27)26-13-17(4-6-21(26)24-19)15-7-9-25(2)10-8-15;1-14-11-25-12-17(3-4-19(25)23-14)18-10-21(27)26-13-16(2-5-20(26)24-18)15-6-8-22-9-7-15;1-14-12-27-16(11-21-14)9-18(23-27)17-10-20(28)26-13-15(3-4-19(26)22-17)25-7-5-24(2)6-8-25/h6-7,10-11,14-17,19,22H,2-5,8-9,12-13H2,1H3;3-6,11-13,15H,7-10H2,1-2H3;2-5,10-13,15,22H,6-9H2,1H3;3-4,9-13H,5-8H2,1-2H3
InChIKeyVSEITWYBNWRSRO-UHFFFAOYSA-N
MW1552.93 g/mol
LogP12.78
Rot. Bonds9

About 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 161384701) has the molecular formula C89H93N21O4S and a molecular weight of 1552.93 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID161384701
Molecular FormulaC89H93N21O4S
Molecular Weight1552.93 g/mol
Exact Mass1551.74
IUPAC Name2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(C5CCC(N6CCCC6)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2cn1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2s1
InChIInChI=1S/C26H29N5O.C22H22N4OS.C21H21N5O.C20H21N7O/c1-18-15-30-16-21(7-10-24(30)27-18)23-14-26(32)31-17-20(6-11-25(31)28-23)19-4-8-22(9-5-19)29-12-2-3-13-29;1-14-23-18-5-3-16(11-20(18)28-14)19-12-22(27)26-13-17(4-6-21(26)24-19)15-7-9-25(2)10-8-15;1-14-11-25-12-17(3-4-19(25)23-14)18-10-21(27)26-13-16(2-5-20(26)24-18)15-6-8-22-9-7-15;1-14-12-27-16(11-21-14)9-18(23-27)17-10-20(28)26-13-15(3-4-19(26)22-17)25-7-5-24(2)6-8-25/h6-7,10-11,14-17,19,22H,2-5,8-9,12-13H2,1H3;3-6,11-13,15H,7-10H2,1-2H3;2-5,10-13,15,22H,6-9H2,1H3;3-4,9-13H,5-8H2,1-2H3
InChIKeyVSEITWYBNWRSRO-UHFFFAOYSA-N
XLogP12.78
TPSA240.15 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms115
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.93
LogP ≤ 512.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 161384701) is 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(C5CCC(N6CCCC6)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2cn1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2s1.
What is the InChIKey of 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VSEITWYBNWRSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O.C22H22N4OS.C21H21N5O.C20H21N7O/c1-18-15-30-16-21(7-10-24(30)27-18)23-14-26(32)31-17-20(6-11-25(31)28-23)19-4-8-22(9-5-19)29-12-2-3-13-29;1-14-23-18-5-3-16(11-20(18)28-14)19-12-22(27)26-13-17(4-6-21(26)24-19)15-7-9-25(2)10-8-15;1-14-11-25-12-17(3-4-19(25)23-14)18-10-21(27)26-13-16(2-5-20(26)24-18)15-6-8-22-9-7-15;1-14-12-27-16(11-21-14)9-18(23-27)17-10-20(28)26-13-15(3-4-19(26)22-17)25-7-5-24(2)6-8-25/h6-7,10-11,14-17,19,22H,2-5,8-9,12-13H2,1H3;3-6,11-13,15H,7-10H2,1-2H3;2-5,10-13,15,22H,6-9H2,1H3;3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1552.93 g/mol, XLogP of 12.78, 9 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 161384701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).