1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one

C81H83F7N10O4S — CID 159655531

About 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one (PubChem CID 159655531) has the molecular formula C81H83F7N10O4S and a molecular weight of 1425.67 g/mol. Its IUPAC name is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one
• PubChem CID: 159655531
• Molecular Formula: C81H83F7N10O4S
• Molecular Weight: 1425.67 g/mol
• Exact Mass: 1424.62
• IUPAC Name: 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one
• SMILES: Cc1ccn2c(C(=O)CCc3ccc(N4CCC(c5ccc(C(F)(F)F)cc5)CC4)nc3)c(C)nc2c1.Cc1ccn2c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1.Cc1ccn2c(C(=O)CCc3ccc(N4CCSCC4)c(F)c3)c(C)nc2c1
• InChI: InChI=1S/C30H30F3N3O2.C29H29F3N4O.C22H24FN3OS/c1-20-13-18-36-28(19-20)34-21(2)29(36)27(37)12-5-22-3-8-25(9-4-22)35-16-14-24(15-17-35)23-6-10-26(11-7-23)38-30(31,32)33;1-19-11-16-36-27(17-19)34-20(2)28(36)25(37)9-3-21-4-10-26(33-18-21)35-14-12-23(13-15-35)22-5-7-24(8-6-22)29(30,31)32;1-15-7-8-26-21(13-15)24-16(2)22(26)20(27)6-4-17-3-5-19(18(23)14-17)25-9-11-28-12-10-25/h3-4,6-11,13,18-19,24H,5,12,14-17H2,1-2H3;4-8,10-11,16-18,23H,3,9,12-15H2,1-2H3;3,5,7-8,13-14H,4,6,9-12H2,1-2H3
• InChIKey: MSCWQYYOGCQJFG-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 134.95 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1425.67
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one?

The IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one (CID 159655531) is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one.

What is the SMILES notation for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one?

The canonical SMILES for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one is Cc1ccn2c(C(=O)CCc3ccc(N4CCC(c5ccc(C(F)(F)F)cc5)CC4)nc3)c(C)nc2c1.Cc1ccn2c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1.Cc1ccn2c(C(=O)CCc3ccc(N4CCSCC4)c(F)c3)c(C)nc2c1.

What is the InChIKey of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one?

The InChIKey is MSCWQYYOGCQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O2.C29H29F3N4O.C22H24FN3OS/c1-20-13-18-36-28(19-20)34-21(2)29(36)27(37)12-5-22-3-8-25(9-4-22)35-16-14-24(15-17-35)23-6-10-26(11-7-23)38-30(31,32)33;1-19-11-16-36-27(17-19)34-20(2)28(36)25(37)9-3-21-4-10-26(33-18-21)35-14-12-23(13-15-35)22-5-7-24(8-6-22)29(30,31)32;1-15-7-8-26-21(13-15)24-16(2)22(26)20(27)6-4-17-3-5-19(18(23)14-17)25-9-11-28-12-10-25/h3-4,6-11,13,18-19,24H,5,12,14-17H2,1-2H3;4-8,10-11,16-18,23H,3,9,12-15H2,1-2H3;3,5,7-8,13-14H,4,6,9-12H2,1-2H3.

What are the key properties of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one?

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one has a molecular weight of 1425.67 g/mol, XLogP of 18.07, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]propan-1-one is sourced from PubChem (CID 159655531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).