[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol

C145H146F12N24O16S2 — CID 158189739

IUPAC[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol
SMILESCc1cn(-c2ccc(C3=NOCC4C(Cc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Oc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(S(=O)(=O)c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Sc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4N3CCCC4(O)c3cc(F)cc(F)c3)cc2CO)cn1
InChIInChI=1S/C25H26F2N4O2.C24H24F2N4O4S.2C24H24F2N4O3.C24H24F2N4O2S.C24H24F2N4O2/c1-16-12-30(15-28-16)23-5-4-19(10-20(23)13-32)25-29-33-14-24-18(3-2-6-31(24)25)7-17-8-21(26)11-22(27)9-17;1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-34-13-22-23(3-2-6-30(22)24)35(32,33)20-9-18(25)8-19(26)10-20;1-15-11-29(14-27-15)21-4-3-16(7-17(21)12-31)23-28-33-13-22-24(32,5-2-6-30(22)23)18-8-19(25)10-20(26)9-18;2*1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-32-13-22-23(3-2-6-30(22)24)33-20-9-18(25)8-19(26)10-20;1-15-11-29(14-27-15)22-5-4-16(7-18(22)12-31)24-28-32-13-23-21(3-2-6-30(23)24)17-8-19(25)10-20(26)9-17/h4-5,8-12,15,18,24,32H,2-3,6-7,13-14H2,1H3;4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;3-4,7-11,14,22,31-32H,2,5-6,12-13H2,1H3;2*4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;4-5,7-11,14,21,23,31H,2-3,6,12-13H2,1H3
InChIKeyFZPDWJRGIRDMJO-UHFFFAOYSA-N
MW2773.02 g/mol
LogP21.63
Rot. Bonds28

About [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol

[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol (PubChem CID 158189739) has the molecular formula C145H146F12N24O16S2 and a molecular weight of 2773.02 g/mol. Its IUPAC name is [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol
PubChem CID158189739
Molecular FormulaC145H146F12N24O16S2
Molecular Weight2773.02 g/mol
Exact Mass2771.06
IUPAC Name[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol
SMILESCc1cn(-c2ccc(C3=NOCC4C(Cc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Oc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(S(=O)(=O)c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Sc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4N3CCCC4(O)c3cc(F)cc(F)c3)cc2CO)cn1
InChIInChI=1S/C25H26F2N4O2.C24H24F2N4O4S.2C24H24F2N4O3.C24H24F2N4O2S.C24H24F2N4O2/c1-16-12-30(15-28-16)23-5-4-19(10-20(23)13-32)25-29-33-14-24-18(3-2-6-31(24)25)7-17-8-21(26)11-22(27)9-17;1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-34-13-22-23(3-2-6-30(22)24)35(32,33)20-9-18(25)8-19(26)10-20;1-15-11-29(14-27-15)21-4-3-16(7-17(21)12-31)23-28-33-13-22-24(32,5-2-6-30(22)23)18-8-19(25)10-20(26)9-18;2*1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-32-13-22-23(3-2-6-30(22)24)33-20-9-18(25)8-19(26)10-20;1-15-11-29(14-27-15)22-5-4-16(7-18(22)12-31)24-28-32-13-23-21(3-2-6-30(23)24)17-8-19(25)10-20(26)9-17/h4-5,8-12,15,18,24,32H,2-3,6-7,13-14H2,1H3;4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;3-4,7-11,14,22,31-32H,2,5-6,12-13H2,1H3;2*4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;4-5,7-11,14,21,23,31H,2-3,6,12-13H2,1H3
InChIKeyFZPDWJRGIRDMJO-UHFFFAOYSA-N
XLogP21.63
TPSA440.88 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds28
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002773.02
LogP ≤ 521.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol 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 [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?
The IUPAC name of [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol (CID 158189739) is [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol.
What is the SMILES notation for [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?
The canonical SMILES for [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol is Cc1cn(-c2ccc(C3=NOCC4C(Cc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Oc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(S(=O)(=O)c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Sc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4N3CCCC4(O)c3cc(F)cc(F)c3)cc2CO)cn1.
What is the InChIKey of [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?
The InChIKey is FZPDWJRGIRDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O2.C24H24F2N4O4S.2C24H24F2N4O3.C24H24F2N4O2S.C24H24F2N4O2/c1-16-12-30(15-28-16)23-5-4-19(10-20(23)13-32)25-29-33-14-24-18(3-2-6-31(24)25)7-17-8-21(26)11-22(27)9-17;1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-34-13-22-23(3-2-6-30(22)24)35(32,33)20-9-18(25)8-19(26)10-20;1-15-11-29(14-27-15)21-4-3-16(7-17(21)12-31)23-28-33-13-22-24(32,5-2-6-30(22)23)18-8-19(25)10-20(26)9-18;2*1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-32-13-22-23(3-2-6-30(22)24)33-20-9-18(25)8-19(26)10-20;1-15-11-29(14-27-15)22-5-4-16(7-18(22)12-31)24-28-32-13-23-21(3-2-6-30(23)24)17-8-19(25)10-20(26)9-17/h4-5,8-12,15,18,24,32H,2-3,6-7,13-14H2,1H3;4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;3-4,7-11,14,22,31-32H,2,5-6,12-13H2,1H3;2*4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;4-5,7-11,14,21,23,31H,2-3,6,12-13H2,1H3.
What are the key properties of [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?
[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol has a molecular weight of 2773.02 g/mol, XLogP of 21.63, 28 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;9-(3,5-difluorophenyl)-4-[3-(hydroxymethyl)-4-(4-methylimidazol-1-yl)phenyl]-6,7,8,9a-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol;[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol is sourced from PubChem (CID 158189739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).