7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C108H113N29O6 — CID 160561812

About 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 160561812) has the molecular formula C108H113N29O6 and a molecular weight of 1913.29 g/mol. Its IUPAC name is 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 160561812
• Molecular Formula: C108H113N29O6
• Molecular Weight: 1913.29 g/mol
• Exact Mass: 1911.94
• IUPAC Name: 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
• SMILES: CCN1CC=C(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.CN(C)C1CCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc21
• InChI: InChI=1S/C23H26N6O.C22H24N6O.C22H21N5O2.C21H22N6O.C20H20N6O/c1-26(2)18-8-10-28(11-9-18)19-5-7-22-25-20(13-23(30)29(22)15-19)16-4-6-21-17(12-16)14-24-27(21)3;1-25-8-3-9-27(11-10-25)18-5-7-21-24-19(13-22(29)28(21)15-18)16-4-6-20-17(12-16)14-23-26(20)2;1-3-26-10-8-15(9-11-26)17-6-7-21-24-19(13-22(28)27(21)25-17)16-4-5-18-20(12-16)29-14(2)23-18;1-24-7-9-26(10-8-24)17-4-6-20-23-18(12-21(28)27(20)14-17)15-3-5-19-16(11-15)13-22-25(19)2;1-24-18-4-2-14(10-15(18)12-22-24)17-11-20(27)26-13-16(3-5-19(26)23-17)25-8-6-21-7-9-25/h4-7,12-15,18H,8-11H2,1-3H3;4-7,12-15H,3,8-11H2,1-2H3;4-8,12-13H,3,9-11H2,1-2H3;3-6,11-14H,7-10H2,1-2H3;2-5,10-13,21H,6-9H2,1H3
• InChIKey: QZKJJWJSKGOWQY-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 320.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.29
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 160561812) is 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is CCN1CC=C(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.CN(C)C1CCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.Cn1ncc2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc21.

What is the InChIKey of 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is QZKJJWJSKGOWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C22H24N6O.C22H21N5O2.C21H22N6O.C20H20N6O/c1-26(2)18-8-10-28(11-9-18)19-5-7-22-25-20(13-23(30)29(22)15-19)16-4-6-21-17(12-16)14-24-27(21)3;1-25-8-3-9-27(11-10-25)18-5-7-21-24-19(13-22(29)28(21)15-18)16-4-6-20-17(12-16)14-23-26(20)2;1-3-26-10-8-15(9-11-26)17-6-7-21-24-19(13-22(28)27(21)25-17)16-4-5-18-20(12-16)29-14(2)23-18;1-24-7-9-26(10-8-24)17-4-6-20-23-18(12-21(28)27(20)14-17)15-3-5-19-16(11-15)13-22-25(19)2;1-24-18-4-2-14(10-15(18)12-22-24)17-11-20(27)26-13-16(3-5-19(26)23-17)25-8-6-21-7-9-25/h4-7,12-15,18H,8-11H2,1-3H3;4-7,12-15H,3,8-11H2,1-2H3;4-8,12-13H,3,9-11H2,1-2H3;3-6,11-14H,7-10H2,1-2H3;2-5,10-13,21H,6-9H2,1H3.

What are the key properties of 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1913.29 g/mol, XLogP of 12.14, 12 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;7-(4-methyl-1,4-diazepan-1-yl)-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160561812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).