2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one

C107H111ClN28O8 — CID 158544012

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 158544012) has the molecular formula C107H111ClN28O8 and a molecular weight of 1952.71 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
• PubChem CID: 158544012
• Molecular Formula: C107H111ClN28O8
• Molecular Weight: 1952.71 g/mol
• Exact Mass: 1950.88
• IUPAC Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
• SMILES: CCN1CCC(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCNCC5)ncc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCN(C)CC5)ccc4n3)cc2o1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCNCC5)ccc4n3)cc2o1
• InChI: InChI=1S/C24H27ClN6O.C22H23N5O2.C21H21N5O2.C20H21N7O.C20H19N5O2/c1-15(2)30-8-7-28(12-17(30)4)19-5-6-22-27-21(10-23(32)31(22)14-19)18-9-20(25)24-26-16(3)11-29(24)13-18;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;1-13-22-17-4-3-15(11-19(17)28-13)18-12-21(27)26-20(23-18)6-5-16(24-26)14-7-9-25(2)10-8-14;1-12-10-27-18(13(2)23-12)7-16(25-27)15-8-20(28)26-11-17(22-9-19(26)24-15)14-3-5-21-6-4-14;1-12-22-16-3-2-14(10-18(16)27-12)17-11-20(26)25-19(23-17)5-4-15(24-25)13-6-8-21-9-7-13/h5-6,9-11,13-15,17H,7-8,12H2,1-4H3;4-7,12-13,15H,3,8-11H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;7-11,14,21H,3-6H2,1-2H3;2-5,10-11,13,21H,6-9H2,1H3/t17-;;;;/m0..../s1
• InChIKey: HOWLARPUIIFXQP-UYVPJCOTSA-N
• XLogP: 14.87
• TPSA: 386.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1952.71
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one (CID 158544012) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one.

What is the SMILES notation for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one is CCN1CCC(c2ccc3nc(-c4ccc5nc(C)oc5c4)cc(=O)n3n2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCNCC5)ncc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCN(C)CC5)ccc4n3)cc2o1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCNCC5)ccc4n3)cc2o1.

What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

The InChIKey is HOWLARPUIIFXQP-UYVPJCOTSA-N. The full InChI is InChI=1S/C24H27ClN6O.C22H23N5O2.C21H21N5O2.C20H21N7O.C20H19N5O2/c1-15(2)30-8-7-28(12-17(30)4)19-5-6-22-27-21(10-23(32)31(22)14-19)18-9-20(25)24-26-16(3)11-29(24)13-18;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;1-13-22-17-4-3-15(11-19(17)28-13)18-12-21(27)26-20(23-18)6-5-16(24-26)14-7-9-25(2)10-8-14;1-12-10-27-18(13(2)23-12)7-16(25-27)15-8-20(28)26-11-17(22-9-19(26)24-15)14-3-5-21-6-4-14;1-12-22-16-3-2-14(10-18(16)27-12)17-11-20(26)25-19(23-17)5-4-15(24-25)13-6-8-21-9-7-13/h5-6,9-11,13-15,17H,7-8,12H2,1-4H3;4-7,12-13,15H,3,8-11H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;7-11,14,21H,3-6H2,1-2H3;2-5,10-11,13,21H,6-9H2,1H3/t17-;;;;/m0..../s1.

What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one has a molecular weight of 1952.71 g/mol, XLogP of 14.87, 12 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 158544012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).