2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C92H100ClN21O9 — CID 158778464

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158778464) has the molecular formula C92H100ClN21O9 and a molecular weight of 1679.40 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 158778464
• Molecular Formula: C92H100ClN21O9
• Molecular Weight: 1679.40 g/mol
• Exact Mass: 1677.77
• IUPAC Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: Cc1cc2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)oc2c(C)n1.Cc1cc2cc(-c3cc(=O)n4cc(N5CCN(CCO)CC5)ccc4n3)oc2c(C)n1.Cc1cc2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)oc2c(C)n1.Cc1cn2cc(-c3cc(=O)n4nc(C5CCN(CCO)CC5)ccc4n3)cc(Cl)c2n1
• InChI: InChI=1S/C24H27N5O2.C23H25N5O3.C23H25N5O2.C22H23ClN6O2/c1-15-11-17-12-21(31-24(17)16(2)25-15)20-13-23(30)29-14-19(5-6-22(29)26-20)28-9-7-18(8-10-28)27(3)4;1-15-11-17-12-20(31-23(17)16(2)24-15)19-13-22(30)28-14-18(3-4-21(28)25-19)27-7-5-26(6-8-27)9-10-29;1-13-7-17-8-20(30-23(17)16(4)25-13)19-9-22(29)28-12-18(5-6-21(28)26-19)27-10-14(2)24-15(3)11-27;1-14-12-28-13-16(10-17(23)22(28)24-14)19-11-21(31)29-20(25-19)3-2-18(26-29)15-4-6-27(7-5-15)8-9-30/h5-6,11-14,18H,7-10H2,1-4H3;3-4,11-14,29H,5-10H2,1-2H3;5-9,12,14-15,24H,10-11H2,1-4H3;2-3,10-13,15,30H,4-9H2,1H3/t;;14-,15+
• InChIKey: IQTQRHAFTODAEQ-PCLSXKMWSA-N
• XLogP: 11.73
• TPSA: 317.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.40
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 158778464) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-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-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)oc2c(C)n1.Cc1cc2cc(-c3cc(=O)n4cc(N5CCN(CCO)CC5)ccc4n3)oc2c(C)n1.Cc1cc2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)oc2c(C)n1.Cc1cn2cc(-c3cc(=O)n4nc(C5CCN(CCO)CC5)ccc4n3)cc(Cl)c2n1.

What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is IQTQRHAFTODAEQ-PCLSXKMWSA-N. The full InChI is InChI=1S/C24H27N5O2.C23H25N5O3.C23H25N5O2.C22H23ClN6O2/c1-15-11-17-12-21(31-24(17)16(2)25-15)20-13-23(30)29-14-19(5-6-22(29)26-20)28-9-7-18(8-10-28)27(3)4;1-15-11-17-12-20(31-23(17)16(2)24-15)19-13-22(30)28-14-18(3-4-21(28)25-19)27-7-5-26(6-8-27)9-10-29;1-13-7-17-8-20(30-23(17)16(4)25-13)19-9-22(29)28-12-18(5-6-21(28)26-19)27-10-14(2)24-15(3)11-27;1-14-12-28-13-16(10-17(23)22(28)24-14)19-11-21(31)29-20(25-19)3-2-18(26-29)15-4-6-27(7-5-15)8-9-30/h5-6,11-14,18H,7-10H2,1-4H3;3-4,11-14,29H,5-10H2,1-2H3;5-9,12,14-15,24H,10-11H2,1-4H3;2-3,10-13,15,30H,4-9H2,1H3/t;;14-,15+;.

What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1679.40 g/mol, XLogP of 11.73, 13 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158778464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).