2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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

C89H93Cl2N23O5 — CID 157245165

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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 (PubChem CID 157245165) has the molecular formula C89H93Cl2N23O5 and a molecular weight of 1635.78 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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
• PubChem CID: 157245165
• Molecular Formula: C89H93Cl2N23O5
• Molecular Weight: 1635.78 g/mol
• Exact Mass: 1633.71
• IUPAC Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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
• SMILES: CCN1CC=C(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)C[C@H]1C.CN1CCCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1
• InChI: InChI=1S/C23H25ClN6O.C22H23ClN6O.C22H24N6O.C22H21N5O2/c1-4-27-7-8-28(12-16(27)3)18-5-6-21-26-20(10-22(31)30(21)14-18)17-9-19(24)23-25-15(2)11-29(23)13-17;1-3-26-6-8-27(9-7-26)17-4-5-20-25-19(11-21(30)29(20)14-17)16-10-18(23)22-24-15(2)12-28(22)13-16;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/h5-6,9-11,13-14,16H,4,7-8,12H2,1-3H3;4-5,10-14H,3,6-9H2,1-2H3;4-7,12-15H,3,8-11H2,1-2H3;4-8,12-13H,3,9-11H2,1-2H3/t16-;;;/m1.../s1
• InChIKey: AVRDYFWTXIZUFY-UFRNLTNDSA-N
• XLogP: 12.32
• TPSA: 251.50 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1635.78
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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?

The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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 (CID 157245165) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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.

What is the SMILES notation for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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?

The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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 is CCN1CC=C(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)C[C@H]1C.CN1CCCN(c2ccc3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.

What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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?

The InChIKey is AVRDYFWTXIZUFY-UFRNLTNDSA-N. The full InChI is InChI=1S/C23H25ClN6O.C22H23ClN6O.C22H24N6O.C22H21N5O2/c1-4-27-7-8-28(12-16(27)3)18-5-6-21-26-20(10-22(31)30(21)14-18)17-9-19(24)23-25-15(2)11-29(23)13-17;1-3-26-6-8-27(9-7-26)17-4-5-20-25-19(11-21(30)29(20)14-17)16-10-18(23)22-24-15(2)12-28(22)13-16;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/h5-6,9-11,13-14,16H,4,7-8,12H2,1-3H3;4-5,10-14H,3,6-9H2,1-2H3;4-7,12-15H,3,8-11H2,1-2H3;4-8,12-13H,3,9-11H2,1-2H3/t16-;;;/m1.../s1.

What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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 has a molecular weight of 1635.78 g/mol, XLogP of 12.32, 11 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-ethylpiperazin-1-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 is sourced from PubChem (CID 157245165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).