2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one

C99H114N18O10 — CID 157393553

About 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157393553) has the molecular formula C99H114N18O10 and a molecular weight of 1716.12 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157393553
• Molecular Formula: C99H114N18O10
• Molecular Weight: 1716.12 g/mol
• Exact Mass: 1714.90
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCC5)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCCC5)CC4)ccc3n2)cc1OC.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCN(CCO)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ccc4n3)ccc2n1
• InChI: InChI=1S/C27H34N4O3.C26H32N4O3.C23H25N5O2.C23H23N5O2/c1-33-24-8-6-21(16-25(24)34-2)23-17-27(32)31-19-22(7-9-26(31)28-23)30-14-10-20(11-15-30)18-29-12-4-3-5-13-29;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;2*1-16-13-27-14-19(3-4-21(27)24-16)20-12-23(30)28-15-18(2-5-22(28)25-20)17-6-8-26(9-7-17)10-11-29/h6-9,16-17,19-20H,3-5,10-15,18H2,1-2H3;5-8,15-16,18-19H,3-4,9-14,17H2,1-2H3;2-5,12-15,17,29H,6-11H2,1H3;2-6,12-15,29H,7-11H2,1H3
• InChIKey: BMHMNALWKALSCQ-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 268.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1716.12
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157393553) is 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCC5)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCCC5)CC4)ccc3n2)cc1OC.Cc1cn2cc(-c3cc(=O)n4cc(C5=CCN(CCO)CC5)ccc4n3)ccc2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ccc4n3)ccc2n1.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BMHMNALWKALSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3.C26H32N4O3.C23H25N5O2.C23H23N5O2/c1-33-24-8-6-21(16-25(24)34-2)23-17-27(32)31-19-22(7-9-26(31)28-23)30-14-10-20(11-15-30)18-29-12-4-3-5-13-29;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;2*1-16-13-27-14-19(3-4-21(27)24-16)20-12-23(30)28-15-18(2-5-22(28)25-20)17-6-8-26(9-7-17)10-11-29/h6-9,16-17,19-20H,3-5,10-15,18H2,1-2H3;5-8,15-16,18-19H,3-4,9-14,17H2,1-2H3;2-5,12-15,17,29H,6-11H2,1H3;2-6,12-15,29H,7-11H2,1H3.

What are the key properties of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?

2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1716.12 g/mol, XLogP of 12.66, 20 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)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;7-[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157393553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).