bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

C216H229F6N41O22S — CID 165016340

IUPACbis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2n1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(NS(C)(=O)=O)cc4)CC3)oc2c1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ncccc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1F)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/4C22H23FN4O2.3C22H24N4O2.2C21H21FN4O2.C20H23N5O4S/c2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-15-2-5-17(16-3-4-16)18(23)11-15;2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-17-5-4-16(11-18(17)23)15-2-3-15;1-15-2-9-19-21(23-15)24-22(28-19)26-12-10-25(11-13-26)20(27)14-16-3-5-17(6-4-16)18-7-8-18;2*1-15-12-19-21(23-14-15)24-22(28-19)26-10-8-25(9-11-26)20(27)13-16-2-4-17(5-3-16)18-6-7-18;22-17-12-14(3-6-16(17)15-4-5-15)13-19(27)25-8-10-26(11-9-25)21-24-20-18(28-21)2-1-7-23-20;22-17-12-15(14-3-4-14)5-6-16(17)13-19(27)25-8-10-26(11-9-25)21-24-20-18(28-21)2-1-7-23-20;1-14-11-17-19(21-13-14)22-20(29-17)25-9-7-24(8-10-25)18(26)12-15-3-5-16(6-4-15)23-30(2,27)28/h2*2,5,10-11,13,16H,3-4,6-9,12H2,1H3;2*4-5,10-11,13,15H,2-3,6-9,12H2,1H3;2-6,9,18H,7-8,10-14H2,1H3;2*2-5,12,14,18H,6-11,13H2,1H3;1-3,6-7,12,15H,4-5,8-11,13H2;1-2,5-7,12,14H,3-4,8-11,13H2;3-6,11,13,23H,7-10,12H2,1-2H3
InChIKeyKMCCVUPOPGCSHO-UHFFFAOYSA-N
MW3897.53 g/mol
LogP31.71
Rot. Bonds41

About bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide

bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (PubChem CID 165016340) has the molecular formula C216H229F6N41O22S and a molecular weight of 3897.53 g/mol. Its IUPAC name is bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Namebis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
PubChem CID165016340
Molecular FormulaC216H229F6N41O22S
Molecular Weight3897.53 g/mol
Exact Mass3894.77
IUPAC Namebis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
SMILESCc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2n1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(NS(C)(=O)=O)cc4)CC3)oc2c1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ncccc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1F)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/4C22H23FN4O2.3C22H24N4O2.2C21H21FN4O2.C20H23N5O4S/c2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-15-2-5-17(16-3-4-16)18(23)11-15;2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-17-5-4-16(11-18(17)23)15-2-3-15;1-15-2-9-19-21(23-15)24-22(28-19)26-12-10-25(11-13-26)20(27)14-16-3-5-17(6-4-16)18-7-8-18;2*1-15-12-19-21(23-14-15)24-22(28-19)26-10-8-25(9-11-26)20(27)13-16-2-4-17(5-3-16)18-6-7-18;22-17-12-14(3-6-16(17)15-4-5-15)13-19(27)25-8-10-26(11-9-25)21-24-20-18(28-21)2-1-7-23-20;22-17-12-15(14-3-4-14)5-6-16(17)13-19(27)25-8-10-26(11-9-25)21-24-20-18(28-21)2-1-7-23-20;1-14-11-17-19(21-13-14)22-20(29-17)25-9-7-24(8-10-25)18(26)12-15-3-5-16(6-4-15)23-30(2,27)28/h2*2,5,10-11,13,16H,3-4,6-9,12H2,1H3;2*4-5,10-11,13,15H,2-3,6-9,12H2,1H3;2-6,9,18H,7-8,10-14H2,1H3;2*2-5,12,14,18H,6-11,13H2,1H3;1-3,6-7,12,15H,4-5,8-11,13H2;1-2,5-7,12,14H,3-4,8-11,13H2;3-6,11,13,23H,7-10,12H2,1-2H3
InChIKeyKMCCVUPOPGCSHO-UHFFFAOYSA-N
XLogP31.71
TPSA670.87 Ų
H-Bond Donors1
H-Bond Acceptors52
Rotatable Bonds41
Heavy Atoms286
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003897.53
LogP ≤ 531.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1052

Analyze bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The IUPAC name of bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide (CID 165016340) is bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide.
What is the SMILES notation for bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The canonical SMILES for bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)nc2n1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4F)CC3)oc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(NS(C)(=O)=O)cc4)CC3)oc2c1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ncccc3o2)CC1.O=C(Cc1ccc(C2CC2)cc1F)N1CCN(c2nc3ncccc3o2)CC1.
What is the InChIKey of bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
The InChIKey is KMCCVUPOPGCSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H23FN4O2.3C22H24N4O2.2C21H21FN4O2.C20H23N5O4S/c2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-15-2-5-17(16-3-4-16)18(23)11-15;2*1-14-10-19-21(24-13-14)25-22(29-19)27-8-6-26(7-9-27)20(28)12-17-5-4-16(11-18(17)23)15-2-3-15;1-15-2-9-19-21(23-15)24-22(28-19)26-12-10-25(11-13-26)20(27)14-16-3-5-17(6-4-16)18-7-8-18;2*1-15-12-19-21(23-14-15)24-22(28-19)26-10-8-25(9-11-26)20(27)13-16-2-4-17(5-3-16)18-6-7-18;22-17-12-14(3-6-16(17)15-4-5-15)13-19(27)25-8-10-26(11-9-25)21-24-20-18(28-21)2-1-7-23-20;22-17-12-15(14-3-4-14)5-6-16(17)13-19(27)25-8-10-26(11-9-25)21-24-20-18(28-21)2-1-7-23-20;1-14-11-17-19(21-13-14)22-20(29-17)25-9-7-24(8-10-25)18(26)12-15-3-5-16(6-4-15)23-30(2,27)28/h2*2,5,10-11,13,16H,3-4,6-9,12H2,1H3;2*4-5,10-11,13,15H,2-3,6-9,12H2,1H3;2-6,9,18H,7-8,10-14H2,1H3;2*2-5,12,14,18H,6-11,13H2,1H3;1-3,6-7,12,15H,4-5,8-11,13H2;1-2,5-7,12,14H,3-4,8-11,13H2;3-6,11,13,23H,7-10,12H2,1-2H3.
What are the key properties of bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide?
bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide has a molecular weight of 3897.53 g/mol, XLogP of 31.71, 41 rotatable bonds, 1 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);bis(2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);2-(4-cyclopropyl-2-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 165016340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).