[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C76H73ClF9N27O4S — CID 159813989

About [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 159813989) has the molecular formula C76H73ClF9N27O4S and a molecular weight of 1667.11 g/mol. Its IUPAC name is [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

• Compound Name: [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
• PubChem CID: 159813989
• Molecular Formula: C76H73ClF9N27O4S
• Molecular Weight: 1667.11 g/mol
• Exact Mass: 1665.56
• IUPAC Name: [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
• SMILES: FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.O=C1NCC2CN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CCN12.[H]N=S(C)(=O)CC1CC(C)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1C
• InChI: InChI=1S/C20H25ClN6OS.2C19H16F3N7O.C18H16F3N7O/c1-13-8-15(12-29(3,22)28)14(2)26(10-13)19-6-7-23-20(25-19)17-9-24-18-5-4-16(21)11-27(17)18;20-19(21,22)13-1-2-16-24-9-14(29(16)10-13)18-23-4-3-17(27-18)28-5-6-30-15(11-28)12-7-25-26-8-12;20-19(21,22)13-1-2-17-24-9-15(29(17)10-13)14-3-4-23-18(27-14)28-5-6-30-16(11-28)12-7-25-26-8-12;19-18(20,21)11-1-2-14-23-8-13(28(14)9-11)16-22-4-3-15(25-16)26-5-6-27-12(10-26)7-24-17(27)29/h4-7,9,11,13-15,22H,8,10,12H2,1-3H3;1-4,7-10,15H,5-6,11H2,(H,25,26);1-4,7-10,16H,5-6,11H2,(H,25,26);1-4,8-9,12H,5-7,10H2,(H,24,29)
• InChIKey: NLJNPWGUUQRWCW-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 334.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.11
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

The IUPAC name of [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 159813989) is [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

What is the SMILES notation for [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

The canonical SMILES for [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.O=C1NCC2CN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CCN12.[H]N=S(C)(=O)CC1CC(C)CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1C.

What is the InChIKey of [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

The InChIKey is NLJNPWGUUQRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6OS.2C19H16F3N7O.C18H16F3N7O/c1-13-8-15(12-29(3,22)28)14(2)26(10-13)19-6-7-23-20(25-19)17-9-24-18-5-4-16(21)11-27(17)18;20-19(21,22)13-1-2-16-24-9-14(29(16)10-13)18-23-4-3-17(27-18)28-5-6-30-15(11-28)12-7-25-26-8-12;20-19(21,22)13-1-2-17-24-9-15(29(17)10-13)14-3-4-23-18(27-14)28-5-6-30-16(11-28)12-7-25-26-8-12;19-18(20,21)11-1-2-14-23-8-13(28(14)9-11)16-22-4-3-15(25-16)26-5-6-27-12(10-26)7-24-17(27)29/h4-7,9,11,13-15,22H,8,10,12H2,1-3H3;1-4,7-10,15H,5-6,11H2,(H,25,26);1-4,7-10,16H,5-6,11H2,(H,25,26);1-4,8-9,12H,5-7,10H2,(H,24,29).

What are the key properties of [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 1667.11 g/mol, XLogP of 12.22, 12 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-λ6-sulfane;2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 159813989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).