[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

C97H92F7N23O4S4 — CID 167706720

About [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 167706720) has the molecular formula C97H92F7N23O4S4 and a molecular weight of 1905.21 g/mol. Its IUPAC name is [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 167706720
• Molecular Formula: C97H92F7N23O4S4
• Molecular Weight: 1905.21 g/mol
• Exact Mass: 1903.65
• IUPAC Name: [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• SMILES: CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccc(F)cc3)nc3sc(C)nn23)nc1.Cc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.Cc1nn2c(C(=O)N3CCC[C@@H](C)[C@H]3CNc3ccc(C(F)(F)F)cn3)c(-c3ccc(F)cc3)nc2s1.O=C(c1c(-c2ccccc2F)nc2sccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1
• InChI: InChI=1S/C26H22FN5OS.C25H24F4N6OS.C23H24FN7OS.C23H22FN5OS/c27-21-11-5-4-10-20(21)23-24(32-15-16-34-26(32)28-23)25(33)31-13-6-9-19(31)17-30-14-12-22(29-30)18-7-2-1-3-8-18;1-14-4-3-11-34(19(14)13-31-20-10-7-17(12-30-20)25(27,28)29)23(36)22-21(16-5-8-18(26)9-6-16)32-24-35(22)33-15(2)37-24;1-3-15-11-25-22(26-12-15)27-13-18-5-4-10-30(18)21(32)20-19(16-6-8-17(24)9-7-16)28-23-31(20)29-14(2)33-23;1-15-8-9-19(25-13-15)26-14-16-5-4-10-28(16)22(30)21-20(17-6-2-3-7-18(17)24)27-23-29(21)11-12-31-23/h1-5,7-8,10-12,14-16,19H,6,9,13,17H2;5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,30,31);6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,25,26,27);2-3,6-9,11-13,16H,4-5,10,14H2,1H3,(H,25,26)/t19-;14-,19-;18-;16-/m0100/s1
• InChIKey: ZEXOVQNXLKISKY-KERRPSDWSA-N
• XLogP: 19.64
• TPSA: 281.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1905.21
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?

The IUPAC name of [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 167706720) is [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?

The canonical SMILES for [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is CCc1cnc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccc(F)cc3)nc3sc(C)nn23)nc1.Cc1ccc(NC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)nc1.Cc1nn2c(C(=O)N3CCC[C@@H](C)[C@H]3CNc3ccc(C(F)(F)F)cn3)c(-c3ccc(F)cc3)nc2s1.O=C(c1c(-c2ccccc2F)nc2sccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.

What is the InChIKey of [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?

The InChIKey is ZEXOVQNXLKISKY-KERRPSDWSA-N. The full InChI is InChI=1S/C26H22FN5OS.C25H24F4N6OS.C23H24FN7OS.C23H22FN5OS/c27-21-11-5-4-10-20(21)23-24(32-15-16-34-26(32)28-23)25(33)31-13-6-9-19(31)17-30-14-12-22(29-30)18-7-2-1-3-8-18;1-14-4-3-11-34(19(14)13-31-20-10-7-17(12-30-20)25(27,28)29)23(36)22-21(16-5-8-18(26)9-6-16)32-24-35(22)33-15(2)37-24;1-3-15-11-25-22(26-12-15)27-13-18-5-4-10-30(18)21(32)20-19(16-6-8-17(24)9-7-16)28-23-31(20)29-14(2)33-23;1-15-8-9-19(25-13-15)26-14-16-5-4-10-28(16)22(30)21-20(17-6-2-3-7-18(17)24)27-23-29(21)11-12-31-23/h1-5,7-8,10-12,14-16,19H,6,9,13,17H2;5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,30,31);6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,25,26,27);2-3,6-9,11-13,16H,4-5,10,14H2,1H3,(H,25,26)/t19-;14-,19-;18-;16-/m0100/s1.

What are the key properties of [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?

[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 1905.21 g/mol, XLogP of 19.64, 21 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 167706720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).