2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

C95H88F4N22O6S2 — CID 159053247

About 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (PubChem CID 159053247) has the molecular formula C95H88F4N22O6S2 and a molecular weight of 1774.02 g/mol. Its IUPAC name is 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
• PubChem CID: 159053247
• Molecular Formula: C95H88F4N22O6S2
• Molecular Weight: 1774.02 g/mol
• Exact Mass: 1772.66
• IUPAC Name: 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
• SMILES: Cc1nc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)n4)cc3-c3ccccc3)CC2)no1.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)n3)cc1-c1ccccc1)C2.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3cc(C)c(F)cn3)cc1-c1ccccc1)CC2.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3cc(C)c(F)cn3)cc1-c1ccccc1)C2
• InChI: InChI=1S/C25H24FN5OS.C24H24FN7O2.C23H20FN5O2.C23H20FN5OS/c1-16-12-21(27-14-19(16)26)22-13-23(18-6-4-3-5-7-18)31(29-22)15-25(32)30-10-8-20-24(9-11-30)33-17(2)28-20;1-16-19(25)8-9-20(26-16)21-14-22(18-6-4-3-5-7-18)32(28-21)15-23(33)30-10-12-31(13-11-30)24-27-17(2)34-29-24;1-14-17(24)8-9-18(25-14)19-10-21(16-6-4-3-5-7-16)29(27-19)13-23(30)28-11-20-22(12-28)31-15(2)26-20;1-14-8-18(25-10-17(14)24)19-9-21(16-6-4-3-5-7-16)29(27-19)13-23(30)28-11-20-22(12-28)31-15(2)26-20/h3-7,12-14H,8-11,15H2,1-2H3;3-9,14H,10-13,15H2,1-2H3;2*3-10H,11-13H2,1-2H3
• InChIKey: JXNREMJUUDZUQQ-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 298.05 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.02
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

The IUPAC name of 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (CID 159053247) is 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.

What is the SMILES notation for 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

The canonical SMILES for 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is Cc1nc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)n4)cc3-c3ccccc3)CC2)no1.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)n3)cc1-c1ccccc1)C2.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3cc(C)c(F)cn3)cc1-c1ccccc1)CC2.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3cc(C)c(F)cn3)cc1-c1ccccc1)C2.

What is the InChIKey of 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

The InChIKey is JXNREMJUUDZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5OS.C24H24FN7O2.C23H20FN5O2.C23H20FN5OS/c1-16-12-21(27-14-19(16)26)22-13-23(18-6-4-3-5-7-18)31(29-22)15-25(32)30-10-8-20-24(9-11-30)33-17(2)28-20;1-16-19(25)8-9-20(26-16)21-14-22(18-6-4-3-5-7-18)32(28-21)15-23(33)30-10-12-31(13-11-30)24-27-17(2)34-29-24;1-14-17(24)8-9-18(25-14)19-10-21(16-6-4-3-5-7-16)29(27-19)13-23(30)28-11-20-22(12-28)31-15(2)26-20;1-14-8-18(25-10-17(14)24)19-9-21(16-6-4-3-5-7-16)29(27-19)13-23(30)28-11-20-22(12-28)31-15(2)26-20/h3-7,12-14H,8-11,15H2,1-2H3;3-9,14H,10-13,15H2,1-2H3;2*3-10H,11-13H2,1-2H3.

What are the key properties of 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone?

2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone has a molecular weight of 1774.02 g/mol, XLogP of 15.82, 17 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is sourced from PubChem (CID 159053247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).