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

C114H129F5N24O10S — CID 160965807

IUPAC2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCc2nc(OC)sc2CC1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)n1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C)CC2)n1
InChIInChI=1S/C26H26FN5O2.C23H28FN5O2.C22H26FN5O2.C22H25FN4O2S.C21H24FN5O2/c1-18-14-21(8-9-22(18)27)23-15-24(20-6-4-3-5-7-20)32(29-23)16-25(33)30-10-12-31(13-11-30)26-28-19(2)17-34-26;1-4-5-19-13-21(18-6-7-20(24)16(2)12-18)26-29(19)14-22(30)27-8-10-28(11-9-27)23-25-17(3)15-31-23;1-4-18-12-20(17-5-6-19(23)15(2)11-17)25-28(18)13-21(29)26-7-9-27(10-8-26)22-24-16(3)14-30-22;1-4-16-12-19(15-5-6-17(23)14(2)11-15)25-27(16)13-21(28)26-9-7-18-20(8-10-26)30-22(24-18)29-3;1-14-10-17(4-5-18(14)22)19-11-16(3)27(24-19)12-20(28)25-6-8-26(9-7-25)21-23-15(2)13-29-21/h3-9,14-15,17H,10-13,16H2,1-2H3;6-7,12-13,15H,4-5,8-11,14H2,1-3H3;5-6,11-12,14H,4,7-10,13H2,1-3H3;5-6,11-12H,4,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeySXPKDNFRVLZOSE-UHFFFAOYSA-N
MW2122.50 g/mol
LogP17.71
Rot. Bonds25

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

2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 160965807) has the molecular formula C114H129F5N24O10S and a molecular weight of 2122.50 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
PubChem CID160965807
Molecular FormulaC114H129F5N24O10S
Molecular Weight2122.50 g/mol
Exact Mass2121.00
IUPAC Name2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCc2nc(OC)sc2CC1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)n1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C)CC2)n1
InChIInChI=1S/C26H26FN5O2.C23H28FN5O2.C22H26FN5O2.C22H25FN4O2S.C21H24FN5O2/c1-18-14-21(8-9-22(18)27)23-15-24(20-6-4-3-5-7-20)32(29-23)16-25(33)30-10-12-31(13-11-30)26-28-19(2)17-34-26;1-4-5-19-13-21(18-6-7-20(24)16(2)12-18)26-29(19)14-22(30)27-8-10-28(11-9-27)23-25-17(3)15-31-23;1-4-18-12-20(17-5-6-19(23)15(2)11-17)25-28(18)13-21(29)26-7-9-27(10-8-26)22-24-16(3)14-30-22;1-4-16-12-19(15-5-6-17(23)14(2)11-15)25-27(16)13-21(28)26-9-7-18-20(8-10-26)30-22(24-18)29-3;1-14-10-17(4-5-18(14)22)19-11-16(3)27(24-19)12-20(28)25-6-8-26(9-7-25)21-23-15(2)13-29-21/h3-9,14-15,17H,10-13,16H2,1-2H3;6-7,12-13,15H,4-5,8-11,14H2,1-3H3;5-6,11-12,14H,4,7-10,13H2,1-3H3;5-6,11-12H,4,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeySXPKDNFRVLZOSE-UHFFFAOYSA-N
XLogP17.71
TPSA329.85 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002122.50
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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

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Related Compounds

2-[5-Ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
CID 158115952
2-[5-Ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 161875693
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
CID 159039312
2-[3-(3-Fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
CID 159145101
2-[3-[4-(Difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone
CID 159833509
2-[5-Ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
CID 160692379
2-[5-Ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone
CID 161221610

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone (CID 160965807) is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone is CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCc2nc(OC)sc2CC1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)n1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C)CC2)n1.
What is the InChIKey of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is SXPKDNFRVLZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2.C23H28FN5O2.C22H26FN5O2.C22H25FN4O2S.C21H24FN5O2/c1-18-14-21(8-9-22(18)27)23-15-24(20-6-4-3-5-7-20)32(29-23)16-25(33)30-10-12-31(13-11-30)26-28-19(2)17-34-26;1-4-5-19-13-21(18-6-7-20(24)16(2)12-18)26-29(19)14-22(30)27-8-10-28(11-9-27)23-25-17(3)15-31-23;1-4-18-12-20(17-5-6-19(23)15(2)11-17)25-28(18)13-21(29)26-7-9-27(10-8-26)22-24-16(3)14-30-22;1-4-16-12-19(15-5-6-17(23)14(2)11-15)25-27(16)13-21(28)26-9-7-18-20(8-10-26)30-22(24-18)29-3;1-14-10-17(4-5-18(14)22)19-11-16(3)27(24-19)12-20(28)25-6-8-26(9-7-25)21-23-15(2)13-29-21/h3-9,14-15,17H,10-13,16H2,1-2H3;6-7,12-13,15H,4-5,8-11,14H2,1-3H3;5-6,11-12,14H,4,7-10,13H2,1-3H3;5-6,11-12H,4,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 2122.50 g/mol, XLogP of 17.71, 25 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methoxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 160965807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).