2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C103H126N22O8 — CID 157302453

About 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157302453) has the molecular formula C103H126N22O8 and a molecular weight of 1800.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157302453
• Molecular Formula: C103H126N22O8
• Molecular Weight: 1800.29 g/mol
• Exact Mass: 1799.01
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1ccc(-c2cc(=O)n3cc(N4CCC(CN(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCC5)CC4)ccc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(CN6CCCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(CN6CCCCC6)CC5)ccc4n3)cc2c(C)n1
• InChI: InChI=1S/C27H33N7O.C26H31N7O.C26H32N4O3.C24H30N4O3/c1-19-16-34-25(20(2)28-19)14-24(30-34)23-15-27(35)33-18-22(6-7-26(33)29-23)32-12-8-21(9-13-32)17-31-10-4-3-5-11-31;1-18-15-33-24(19(2)27-18)13-23(29-33)22-14-26(34)32-17-21(5-6-25(32)28-22)31-11-7-20(8-12-31)16-30-9-3-4-10-30;1-32-23-7-5-20(15-24(23)33-2)22-16-26(31)30-18-21(6-8-25(30)27-22)29-13-9-19(10-14-29)17-28-11-3-4-12-28;1-26(2)15-17-9-11-27(12-10-17)19-6-8-23-25-20(14-24(29)28(23)16-19)18-5-7-21(30-3)22(13-18)31-4/h6-7,14-16,18,21H,3-5,8-13,17H2,1-2H3;5-6,13-15,17,20H,3-4,7-12,16H2,1-2H3;5-8,15-16,18-19H,3-4,9-14,17H2,1-2H3;5-8,13-14,16-17H,9-12,15H2,1-4H3
• InChIKey: BCBFYRITZNRFET-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 260.70 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1800.29
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 157302453) is 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CCC(CN(C)C)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCC5)CC4)ccc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(CN6CCCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(CN6CCCCC6)CC5)ccc4n3)cc2c(C)n1.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BCBFYRITZNRFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.C26H31N7O.C26H32N4O3.C24H30N4O3/c1-19-16-34-25(20(2)28-19)14-24(30-34)23-15-27(35)33-18-22(6-7-26(33)29-23)32-12-8-21(9-13-32)17-31-10-4-3-5-11-31;1-18-15-33-24(19(2)27-18)13-23(29-33)22-14-26(34)32-17-21(5-6-25(32)28-22)31-11-7-20(8-12-31)16-30-9-3-4-10-30;1-32-23-7-5-20(15-24(23)33-2)22-16-26(31)30-18-21(6-8-25(30)27-22)29-13-9-19(10-14-29)17-28-11-3-4-12-28;1-26(2)15-17-9-11-27(12-10-17)19-6-8-23-25-20(14-24(29)28(23)16-19)18-5-7-21(30-3)22(13-18)31-4/h6-7,14-16,18,21H,3-5,8-13,17H2,1-2H3;5-6,13-15,17,20H,3-4,7-12,16H2,1-2H3;5-8,15-16,18-19H,3-4,9-14,17H2,1-2H3;5-8,13-14,16-17H,9-12,15H2,1-4H3.

What are the key properties of 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1800.29 g/mol, XLogP of 13.90, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-7-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157302453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).