2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one

C91H98Cl3N23O5 — CID 157459955

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 157459955) has the molecular formula C91H98Cl3N23O5 and a molecular weight of 1700.30 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
• PubChem CID: 157459955
• Molecular Formula: C91H98Cl3N23O5
• Molecular Weight: 1700.30 g/mol
• Exact Mass: 1697.72
• IUPAC Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
• SMILES: CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)C[C@@H]1C.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCNCC5)ccc4n3)cc2o1
• InChI: InChI=1S/2C24H27ClN6O.C23H25ClN6O.C20H19N5O2/c2*1-15(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;1-4-27-7-8-28(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;1-12-22-16-3-2-14(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/h2*5-6,9-11,13-15,17H,7-8,12H2,1-4H3;5-6,9-11,13-14,16H,4,7-8,12H2,1-3H3;2-5,10-11,13,21H,6-9H2,1H3/t2*17-;16-;/m100./s1
• InChIKey: BTUNSUBZQDSRQU-RWVAWFSESA-N
• XLogP: 13.95
• TPSA: 259.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.30
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	1
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-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one (CID 157459955) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one is CCN1CCN(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)C[C@@H]1C.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@H](C)C5)ccc4n3)cc(Cl)c2n1.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)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

The InChIKey is BTUNSUBZQDSRQU-RWVAWFSESA-N. The full InChI is InChI=1S/2C24H27ClN6O.C23H25ClN6O.C20H19N5O2/c2*1-15(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;1-4-27-7-8-28(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;1-12-22-16-3-2-14(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/h2*5-6,9-11,13-15,17H,7-8,12H2,1-4H3;5-6,9-11,13-14,16H,4,7-8,12H2,1-3H3;2-5,10-11,13,21H,6-9H2,1H3/t2*17-;16-;/m100./s1.

What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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 1700.30 g/mol, XLogP of 13.95, 11 rotatable bonds, 1 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-[(3S)-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-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-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 157459955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).