2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone

C90H90F4N18O9S — CID 160540208

IUPAC2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)n2)nn1CC(=O)N1CCc2nc(C)sc2CC1.CCc1cc(-c2ccc(C)c(F)c2)nn1CC(=O)N1Cc2nc(C)oc2C1.COc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3Cc4nc(C)oc4C3)n2)cc1C.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(OC(F)F)cn3)cc1-c1ccccc1)C2
InChIInChI=1S/C25H24N4O3.C23H19F2N5O3.C22H26FN5OS.C20H21FN4O2/c1-16-11-19(9-10-23(16)31-3)20-12-22(18-7-5-4-6-8-18)29(27-20)15-25(30)28-13-21-24(14-28)32-17(2)26-21;1-14-27-19-11-29(12-21(19)32-14)22(31)13-30-20(15-5-3-2-4-6-15)9-18(28-30)17-8-7-16(10-26-17)33-23(24)25;1-4-5-16-12-20(18-7-6-17(23)14(2)24-18)26-28(16)13-22(29)27-10-8-19-21(9-11-27)30-15(3)25-19;1-4-15-8-17(14-6-5-12(2)16(21)7-14)23-25(15)11-20(26)24-9-18-19(10-24)27-13(3)22-18/h4-12H,13-15H2,1-3H3;2-10,23H,11-13H2,1H3;6-7,12H,4-5,8-11,13H2,1-3H3;5-8H,4,9-11H2,1-3H3
InChIKeyQWRKJWLNWIJFDP-UHFFFAOYSA-N
MW1675.89 g/mol
LogP15.56
Rot. Bonds20

About 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone

2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone (PubChem CID 160540208) has the molecular formula C90H90F4N18O9S and a molecular weight of 1675.89 g/mol. Its IUPAC name is 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone
PubChem CID160540208
Molecular FormulaC90H90F4N18O9S
Molecular Weight1675.89 g/mol
Exact Mass1674.68
IUPAC Name2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)n2)nn1CC(=O)N1CCc2nc(C)sc2CC1.CCc1cc(-c2ccc(C)c(F)c2)nn1CC(=O)N1Cc2nc(C)oc2C1.COc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3Cc4nc(C)oc4C3)n2)cc1C.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(OC(F)F)cn3)cc1-c1ccccc1)C2
InChIInChI=1S/C25H24N4O3.C23H19F2N5O3.C22H26FN5OS.C20H21FN4O2/c1-16-11-19(9-10-23(16)31-3)20-12-22(18-7-5-4-6-8-18)29(27-20)15-25(30)28-13-21-24(14-28)32-17(2)26-21;1-14-27-19-11-29(12-21(19)32-14)22(31)13-30-20(15-5-3-2-4-6-15)9-18(28-30)17-8-7-16(10-26-17)33-23(24)25;1-4-5-16-12-20(18-7-6-17(23)14(2)24-18)26-28(16)13-22(29)27-10-8-19-21(9-11-27)30-15(3)25-19;1-4-15-8-17(14-6-5-12(2)16(21)7-14)23-25(15)11-20(26)24-9-18-19(10-24)27-13(3)22-18/h4-12H,13-15H2,1-3H3;2-10,23H,11-13H2,1H3;6-7,12H,4-5,8-11,13H2,1-3H3;5-8H,4,9-11H2,1-3H3
InChIKeyQWRKJWLNWIJFDP-UHFFFAOYSA-N
XLogP15.56
TPSA287.74 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.89
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
The IUPAC name of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone (CID 160540208) is 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone.
What is the SMILES notation for 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
The canonical SMILES for 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone is CCCc1cc(-c2ccc(F)c(C)n2)nn1CC(=O)N1CCc2nc(C)sc2CC1.CCc1cc(-c2ccc(C)c(F)c2)nn1CC(=O)N1Cc2nc(C)oc2C1.COc1ccc(-c2cc(-c3ccccc3)n(CC(=O)N3Cc4nc(C)oc4C3)n2)cc1C.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(OC(F)F)cn3)cc1-c1ccccc1)C2.
What is the InChIKey of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
The InChIKey is QWRKJWLNWIJFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3.C23H19F2N5O3.C22H26FN5OS.C20H21FN4O2/c1-16-11-19(9-10-23(16)31-3)20-12-22(18-7-5-4-6-8-18)29(27-20)15-25(30)28-13-21-24(14-28)32-17(2)26-21;1-14-27-19-11-29(12-21(19)32-14)22(31)13-30-20(15-5-3-2-4-6-15)9-18(28-30)17-8-7-16(10-26-17)33-23(24)25;1-4-5-16-12-20(18-7-6-17(23)14(2)24-18)26-28(16)13-22(29)27-10-8-19-21(9-11-27)30-15(3)25-19;1-4-15-8-17(14-6-5-12(2)16(21)7-14)23-25(15)11-20(26)24-9-18-19(10-24)27-13(3)22-18/h4-12H,13-15H2,1-3H3;2-10,23H,11-13H2,1H3;6-7,12H,4-5,8-11,13H2,1-3H3;5-8H,4,9-11H2,1-3H3.
What are the key properties of 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone?
2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone has a molecular weight of 1675.89 g/mol, XLogP of 15.56, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(difluoromethoxy)-2-pyridinyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[5-ethyl-3-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone is sourced from PubChem (CID 160540208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).