[7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol

C147H144Cl6N22O14S6 — CID 158742479

IUPAC[7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCNC5)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3n[nH]c5c3CNCC5)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3occc3CNC)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCNC5)C4)c2s1.CCN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.CN(C)C1CCc2nn(C)c(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1
InChIInChI=1S/C26H27ClN4O2S.C25H25ClN4O2S.C24H24ClN5O2S.C24H23ClN4O2S.C24H22ClN3O3S.C24H23ClN2O3S/c1-30(2)16-4-5-21-20(11-16)24(31(3)29-21)23-9-14-8-15(27)10-19(25(14)33-23)18-6-7-28-22-12-17(13-32)34-26(18)22;1-3-20(31)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(32-24(13)16)23-17-12-27-6-5-18(17)29-30(23)2;1-3-18(31)20-9-17-24(33-20)21(28-11-27-17)14-8-13(25)6-12-7-19(32-23(12)14)22-15-10-26-5-4-16(15)29-30(22)2;1-2-19(30)21-10-18-24(32-21)14(3-6-27-18)15-9-13(25)7-12-8-20(31-23(12)15)22-16-11-26-5-4-17(16)28-29-22;1-2-28-6-4-19-18(11-28)23(31-27-19)21-8-13-7-14(25)9-17(22(13)30-21)16-3-5-26-20-10-15(12-29)32-24(16)20;1-3-19(28)21-11-18-24(31-21)16(4-6-27-18)17-10-15(25)8-14-9-20(30-22(14)17)23-13(12-26-2)5-7-29-23/h6-8,10,12,16,23,32H,4-5,9,11,13H2,1-3H3;4,7-8,10-11,20-21,27,31H,3,5-6,9,12H2,1-2H3;6,8-9,11,18-19,26,31H,3-5,7,10H2,1-2H3;3,6-7,9-10,19-20,26,30H,2,4-5,8,11H2,1H3,(H,28,29);3,5,7,9-10,21,29H,2,4,6,8,11-12H2,1H3;4-8,10-11,19-20,26,28H,3,9,12H2,1-2H3
InChIKeyIMLVTWLPVOJNDI-UHFFFAOYSA-N
MW2848.03 g/mol
LogP30.87
Rot. Bonds26

About [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol

[7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol (PubChem CID 158742479) has the molecular formula C147H144Cl6N22O14S6 and a molecular weight of 2848.03 g/mol. Its IUPAC name is [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name[7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
PubChem CID158742479
Molecular FormulaC147H144Cl6N22O14S6
Molecular Weight2848.03 g/mol
Exact Mass2842.77
IUPAC Name[7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCNC5)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3n[nH]c5c3CNCC5)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3occc3CNC)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCNC5)C4)c2s1.CCN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.CN(C)C1CCc2nn(C)c(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1
InChIInChI=1S/C26H27ClN4O2S.C25H25ClN4O2S.C24H24ClN5O2S.C24H23ClN4O2S.C24H22ClN3O3S.C24H23ClN2O3S/c1-30(2)16-4-5-21-20(11-16)24(31(3)29-21)23-9-14-8-15(27)10-19(25(14)33-23)18-6-7-28-22-12-17(13-32)34-26(18)22;1-3-20(31)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(32-24(13)16)23-17-12-27-6-5-18(17)29-30(23)2;1-3-18(31)20-9-17-24(33-20)21(28-11-27-17)14-8-13(25)6-12-7-19(32-23(12)14)22-15-10-26-5-4-16(15)29-30(22)2;1-2-19(30)21-10-18-24(32-21)14(3-6-27-18)15-9-13(25)7-12-8-20(31-23(12)15)22-16-11-26-5-4-17(16)28-29-22;1-2-28-6-4-19-18(11-28)23(31-27-19)21-8-13-7-14(25)9-17(22(13)30-21)16-3-5-26-20-10-15(12-29)32-24(16)20;1-3-19(28)21-11-18-24(31-21)16(4-6-27-18)17-10-15(25)8-14-9-20(30-22(14)17)23-13(12-26-2)5-7-29-23/h6-8,10,12,16,23,32H,4-5,9,11,13H2,1-3H3;4,7-8,10-11,20-21,27,31H,3,5-6,9,12H2,1-2H3;6,8-9,11,18-19,26,31H,3-5,7,10H2,1-2H3;3,6-7,9-10,19-20,26,30H,2,4-5,8,11H2,1H3,(H,28,29);3,5,7,9-10,21,29H,2,4,6,8,11-12H2,1H3;4-8,10-11,19-20,26,28H,3,9,12H2,1-2H3
InChIKeyIMLVTWLPVOJNDI-UHFFFAOYSA-N
XLogP30.87
TPSA442.90 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002848.03
LogP ≤ 530.87
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol with MolForge

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Related Compounds

[7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
CID 161207918
[7-[(2R)-5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
CID 162469805
1-[7-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 157203030
(1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 158769667
[5-chloro-7-[6-ethyl-6-(hydroxymethyl)-5,7-dihydrocyclopenta[b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[6-(hydroxymethyl)-6-propyl-5,7-dihydrocyclopenta[b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 158184324
(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
CID 158937262
[7-[5-chloro-2-[5-(dimethylamino)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol
CID 162221460
N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide
CID 157200763
4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine
CID 157095899
[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methylcarbamic acid
CID 166784928
3-[[4-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-propan-2-ylpyrimidine-2,4-dione
CID 166789426
1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol
CID 159334658

Frequently Asked Questions

What is the IUPAC name of [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol (CID 158742479) is [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol is CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCNC5)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3n[nH]c5c3CNCC5)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3occc3CNC)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCNC5)C4)c2s1.CCN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.CN(C)C1CCc2nn(C)c(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.
What is the InChIKey of [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?
The InChIKey is IMLVTWLPVOJNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2S.C25H25ClN4O2S.C24H24ClN5O2S.C24H23ClN4O2S.C24H22ClN3O3S.C24H23ClN2O3S/c1-30(2)16-4-5-21-20(11-16)24(31(3)29-21)23-9-14-8-15(27)10-19(25(14)33-23)18-6-7-28-22-12-17(13-32)34-26(18)22;1-3-20(31)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(32-24(13)16)23-17-12-27-6-5-18(17)29-30(23)2;1-3-18(31)20-9-17-24(33-20)21(28-11-27-17)14-8-13(25)6-12-7-19(32-23(12)14)22-15-10-26-5-4-16(15)29-30(22)2;1-2-19(30)21-10-18-24(32-21)14(3-6-27-18)15-9-13(25)7-12-8-20(31-23(12)15)22-16-11-26-5-4-17(16)28-29-22;1-2-28-6-4-19-18(11-28)23(31-27-19)21-8-13-7-14(25)9-17(22(13)30-21)16-3-5-26-20-10-15(12-29)32-24(16)20;1-3-19(28)21-11-18-24(31-21)16(4-6-27-18)17-10-15(25)8-14-9-20(30-22(14)17)23-13(12-26-2)5-7-29-23/h6-8,10,12,16,23,32H,4-5,9,11,13H2,1-3H3;4,7-8,10-11,20-21,27,31H,3,5-6,9,12H2,1-2H3;6,8-9,11,18-19,26,31H,3-5,7,10H2,1-2H3;3,6-7,9-10,19-20,26,30H,2,4-5,8,11H2,1H3,(H,28,29);3,5,7,9-10,21,29H,2,4,6,8,11-12H2,1H3;4-8,10-11,19-20,26,28H,3,9,12H2,1-2H3.
What are the key properties of [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol?
[7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol has a molecular weight of 2848.03 g/mol, XLogP of 30.87, 26 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 158742479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).