8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]

C161H173F6N26O17P — CID 157130624

IUPAC8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]
SMILESCCOc1cc(CC2CC3(CC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)n1.CN1CCc2nc(CC3CC4(COC4)CN4C3=NOCC4c3ccc(F)cc3)ccc21.COc1cc(CC2CC3(CCP(=O)(OC)O3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(CC2CC3(COC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(CC3CC4(COC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3c2CC3)cn1.Cc1cn(-c2ccc(CC3CC4(COC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3cnoc23)cn1
InChIInChI=1S/C28H32FN4O5P.C28H29FN4O2.C27H26FN5O3.C27H30FN5O2.C27H29FN4O3.C24H27FN4O2/c1-19-16-32(18-30-19)24-10-5-20(14-25(24)35-3)13-21-15-28(11-12-39(34,36-4)38-28)17-33-26(21)31-37-27(33,2)22-6-8-23(29)9-7-22;1-18-13-32(17-30-18)25-10-3-19(23-8-9-24(23)25)11-20-12-28(15-34-16-28)14-33-26(20)31-35-27(33,2)21-4-6-22(29)7-5-21;1-17-12-32(16-29-17)23-8-3-18(22-11-30-35-24(22)23)9-19-10-27(14-34-15-27)13-33-25(19)31-36-26(33,2)20-4-6-21(28)7-5-20;1-4-34-24-14-19(5-10-23(24)33-17-29-18(2)30-33)13-20-15-27(11-12-27)16-32-25(20)31-35-26(32,3)21-6-8-22(28)9-7-21;1-18-13-31(17-29-18)23-9-4-19(11-24(23)33-3)10-20-12-27(15-34-16-27)14-32-25(20)30-35-26(32,2)21-5-7-22(28)8-6-21;1-28-9-8-20-21(28)7-6-19(26-20)10-17-11-24(14-30-15-24)13-29-22(12-31-27-23(17)29)16-2-4-18(25)5-3-16/h5-10,14,16,18,21H,11-13,15,17H2,1-4H3;3-7,10,13,17,20H,8-9,11-12,14-16H2,1-2H3;3-8,11-12,16,19H,9-10,13-15H2,1-2H3;5-10,14,17,20H,4,11-13,15-16H2,1-3H3;4-9,11,13,17,20H,10,12,14-16H2,1-3H3;2-7,17,22H,8-15H2,1H3
InChIKeyAJAIKTMXPDTCFP-UHFFFAOYSA-N
MW2889.28 g/mol
LogP27.06
Rot. Bonds28

About 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]

8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane] (PubChem CID 157130624) has the molecular formula C161H173F6N26O17P and a molecular weight of 2889.28 g/mol. Its IUPAC name is 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane].

Molecular Properties

Compound Name8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]
PubChem CID157130624
Molecular FormulaC161H173F6N26O17P
Molecular Weight2889.28 g/mol
Exact Mass2887.31
IUPAC Name8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]
SMILESCCOc1cc(CC2CC3(CC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)n1.CN1CCc2nc(CC3CC4(COC4)CN4C3=NOCC4c3ccc(F)cc3)ccc21.COc1cc(CC2CC3(CCP(=O)(OC)O3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(CC2CC3(COC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(CC3CC4(COC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3c2CC3)cn1.Cc1cn(-c2ccc(CC3CC4(COC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3cnoc23)cn1
InChIInChI=1S/C28H32FN4O5P.C28H29FN4O2.C27H26FN5O3.C27H30FN5O2.C27H29FN4O3.C24H27FN4O2/c1-19-16-32(18-30-19)24-10-5-20(14-25(24)35-3)13-21-15-28(11-12-39(34,36-4)38-28)17-33-26(21)31-37-27(33,2)22-6-8-23(29)9-7-22;1-18-13-32(17-30-18)25-10-3-19(23-8-9-24(23)25)11-20-12-28(15-34-16-28)14-33-26(20)31-35-27(33,2)21-4-6-22(29)7-5-21;1-17-12-32(16-29-17)23-8-3-18(22-11-30-35-24(22)23)9-19-10-27(14-34-15-27)13-33-25(19)31-36-26(33,2)20-4-6-21(28)7-5-20;1-4-34-24-14-19(5-10-23(24)33-17-29-18(2)30-33)13-20-15-27(11-12-27)16-32-25(20)31-35-26(32,3)21-6-8-22(28)9-7-21;1-18-13-31(17-29-18)23-9-4-19(11-24(23)33-3)10-20-12-27(15-34-16-27)14-32-25(20)30-35-26(32,2)21-5-7-22(28)8-6-21;1-28-9-8-20-21(28)7-6-19(26-20)10-17-11-24(14-30-15-24)13-29-22(12-31-27-23(17)29)16-2-4-18(25)5-3-16/h5-10,14,16,18,21H,11-13,15,17H2,1-4H3;3-7,10,13,17,20H,8-9,11-12,14-16H2,1-2H3;3-8,11-12,16,19H,9-10,13-15H2,1-2H3;5-10,14,17,20H,4,11-13,15-16H2,1-3H3;4-9,11,13,17,20H,10,12,14-16H2,1-3H3;2-7,17,22H,8-15H2,1H3
InChIKeyAJAIKTMXPDTCFP-UHFFFAOYSA-N
XLogP27.06
TPSA393.27 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002889.28
LogP ≤ 527.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]?
The IUPAC name of 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane] (CID 157130624) is 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane].
What is the SMILES notation for 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]?
The canonical SMILES for 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane] is CCOc1cc(CC2CC3(CC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)n1.CN1CCc2nc(CC3CC4(COC4)CN4C3=NOCC4c3ccc(F)cc3)ccc21.COc1cc(CC2CC3(CCP(=O)(OC)O3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(CC2CC3(COC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(CC3CC4(COC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3c2CC3)cn1.Cc1cn(-c2ccc(CC3CC4(COC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3cnoc23)cn1.
What is the InChIKey of 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]?
The InChIKey is AJAIKTMXPDTCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN4O5P.C28H29FN4O2.C27H26FN5O3.C27H30FN5O2.C27H29FN4O3.C24H27FN4O2/c1-19-16-32(18-30-19)24-10-5-20(14-25(24)35-3)13-21-15-28(11-12-39(34,36-4)38-28)17-33-26(21)31-37-27(33,2)22-6-8-23(29)9-7-22;1-18-13-32(17-30-18)25-10-3-19(23-8-9-24(23)25)11-20-12-28(15-34-16-28)14-33-26(20)31-35-27(33,2)21-4-6-22(29)7-5-21;1-17-12-32(16-29-17)23-8-3-18(22-11-30-35-24(22)23)9-19-10-27(14-34-15-27)13-33-25(19)31-36-26(33,2)20-4-6-21(28)7-5-20;1-4-34-24-14-19(5-10-23(24)33-17-29-18(2)30-33)13-20-15-27(11-12-27)16-32-25(20)31-35-26(32,3)21-6-8-22(28)9-7-21;1-18-13-31(17-29-18)23-9-4-19(11-24(23)33-3)10-20-12-27(15-34-16-27)14-32-25(20)30-35-26(32,2)21-5-7-22(28)8-6-21;1-28-9-8-20-21(28)7-6-19(26-20)10-17-11-24(14-30-15-24)13-29-22(12-31-27-23(17)29)16-2-4-18(25)5-3-16/h5-10,14,16,18,21H,11-13,15,17H2,1-4H3;3-7,10,13,17,20H,8-9,11-12,14-16H2,1-2H3;3-8,11-12,16,19H,9-10,13-15H2,1-2H3;5-10,14,17,20H,4,11-13,15-16H2,1-3H3;4-9,11,13,17,20H,10,12,14-16H2,1-3H3;2-7,17,22H,8-15H2,1H3.
What are the key properties of 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane]?
8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane] has a molecular weight of 2889.28 g/mol, XLogP of 27.06, 28 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-(4-fluorophenyl)-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];3'-(4-fluorophenyl)-2-methoxy-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3'-methylspiro[1,2λ5-oxaphospholane-5,6'-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine] 2-oxide;3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3-methylspiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];4-(4-fluorophenyl)-9-[(1-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)methyl]spiro[4,6,8,9-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane];3-(4-fluorophenyl)-3-methyl-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]spiro[7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-oxetane] is sourced from PubChem (CID 157130624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).