2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C117H124N30O6 — CID 158384720

IUPAC2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCN(C)CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCOCC6)CC5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C26H32N8O.C25H29N7O2.C23H23N5O.C22H21N5O.C21H19N5O/c1-18-16-34-24(19(2)27-18)14-23(29-34)22-15-26(35)33-17-21(4-5-25(33)28-22)31-8-6-20(7-9-31)32-12-10-30(3)11-13-32;1-17-15-32-23(18(2)26-17)13-22(28-32)21-14-25(33)31-16-20(3-4-24(31)27-21)29-7-5-19(6-8-29)30-9-11-34-12-10-30;1-3-26-10-8-17(9-11-26)18-4-7-22-25-20(12-23(29)28(22)15-18)19-5-6-21-24-16(2)13-27(21)14-19;1-15-12-26-13-18(4-5-20(26)23-15)19-11-22(28)27-14-17(3-6-21(27)24-19)16-7-9-25(2)10-8-16;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/h4-5,14-17,20H,6-13H2,1-3H3;3-4,13-16,19H,5-12H2,1-2H3;4-8,12-15H,3,9-11H2,1-2H3;3-7,11-14H,8-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3
InChIKeyGWFOOXZGAABIGS-UHFFFAOYSA-N
MW2046.48 g/mol
LogP13.72
Rot. Bonds13

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158384720) has the molecular formula C117H124N30O6 and a molecular weight of 2046.48 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID158384720
Molecular FormulaC117H124N30O6
Molecular Weight2046.48 g/mol
Exact Mass2045.03
IUPAC Name2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCN(C)CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCOCC6)CC5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C26H32N8O.C25H29N7O2.C23H23N5O.C22H21N5O.C21H19N5O/c1-18-16-34-24(19(2)27-18)14-23(29-34)22-15-26(35)33-17-21(4-5-25(33)28-22)31-8-6-20(7-9-31)32-12-10-30(3)11-13-32;1-17-15-32-23(18(2)26-17)13-22(28-32)21-14-25(33)31-16-20(3-4-24(31)27-21)29-7-5-19(6-8-29)30-9-11-34-12-10-30;1-3-26-10-8-17(9-11-26)18-4-7-22-25-20(12-23(29)28(22)15-18)19-5-6-21-24-16(2)13-27(21)14-19;1-15-12-26-13-18(4-5-20(26)23-15)19-11-22(28)27-14-17(3-6-21(27)24-19)16-7-9-25(2)10-8-16;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/h4-5,14-17,20H,6-13H2,1-3H3;3-4,13-16,19H,5-12H2,1-2H3;4-8,12-15H,3,9-11H2,1-2H3;3-7,11-14H,8-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3
InChIKeyGWFOOXZGAABIGS-UHFFFAOYSA-N
XLogP13.72
TPSA328.07 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002046.48
LogP ≤ 513.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 158384720) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CC=C(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCN(C)CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCOCC6)CC5)ccc4n3)cc2c(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GWFOOXZGAABIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O.C25H29N7O2.C23H23N5O.C22H21N5O.C21H19N5O/c1-18-16-34-24(19(2)27-18)14-23(29-34)22-15-26(35)33-17-21(4-5-25(33)28-22)31-8-6-20(7-9-31)32-12-10-30(3)11-13-32;1-17-15-32-23(18(2)26-17)13-22(28-32)21-14-25(33)31-16-20(3-4-24(31)27-21)29-7-5-19(6-8-29)30-9-11-34-12-10-30;1-3-26-10-8-17(9-11-26)18-4-7-22-25-20(12-23(29)28(22)15-18)19-5-6-21-24-16(2)13-27(21)14-19;1-15-12-26-13-18(4-5-20(26)23-15)19-11-22(28)27-14-17(3-6-21(27)24-19)16-7-9-25(2)10-8-16;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/h4-5,14-17,20H,6-13H2,1-3H3;3-4,13-16,19H,5-12H2,1-2H3;4-8,12-15H,3,9-11H2,1-2H3;3-7,11-14H,8-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3.
What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2046.48 g/mol, XLogP of 13.72, 13 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158384720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).