[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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile

C148H135Cl5F4N22O19S5 — CID 159374258

IUPAC[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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
SMILESCC(F)(F)c1nc2n(n1)CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2.CC(F)(F)c1nnc2n1CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3ocnc3CN3CCOCC3)C4)c2s1.CCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.CN(C)C1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.N#Cc1cc2c(c(-c3ccnc4cc(CO)sc34)c1)OC(C(=O)N1CCCCC1)C2
InChIInChI=1S/C26H26ClN3O4S.C26H24ClN3O3.C25H24ClN3O3S.2C24H20ClF2N5O3S.C23H21N3O3S/c1-2-21(31)23-12-19-26(35-23)17(3-4-28-19)18-11-16(27)9-15-10-22(34-24(15)18)25-20(29-14-33-25)13-30-5-7-32-8-6-30;1-2-23(31)14-3-4-18-17(5-8-29-22(18)10-14)19-12-16(27)9-15-11-24(32-25(15)19)26-20-13-28-7-6-21(20)30-33-26;1-29(2)15-3-4-20-19(10-15)24(32-28-20)22-8-13-7-14(26)9-18(23(13)31-22)17-5-6-27-21-11-16(12-30)33-25(17)21;1-24(26,27)23-30-29-19-10-31(4-5-32(19)23)22(34)18-7-12-6-13(25)8-16(20(12)35-18)15-2-3-28-17-9-14(11-33)36-21(15)17;1-24(26,27)23-29-19-10-31(4-5-32(19)30-23)22(34)18-7-12-6-13(25)8-16(20(12)35-18)15-2-3-28-17-9-14(11-33)36-21(15)17;24-12-14-8-15-10-20(23(28)26-6-2-1-3-7-26)29-21(15)18(9-14)17-4-5-25-19-11-16(13-27)30-22(17)19/h3-4,9,11-12,14,21-22,31H,2,5-8,10,13H2,1H3;3-5,8-10,12,23-24,28,31H,2,6-7,11,13H2,1H3;5-7,9,11,15,22,30H,3-4,8,10,12H2,1-2H3;2*2-3,6,8-9,18,33H,4-5,7,10-11H2,1H3;4-5,8-9,11,20,27H,1-3,6-7,10,13H2
InChIKeyLKCNZDUHQYQAAI-UHFFFAOYSA-N
MW2939.43 g/mol
LogP28.02
Rot. Bonds25

About [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile

[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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile (PubChem CID 159374258) has the molecular formula C148H135Cl5F4N22O19S5 and a molecular weight of 2939.43 g/mol. Its IUPAC name is [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name[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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
PubChem CID159374258
Molecular FormulaC148H135Cl5F4N22O19S5
Molecular Weight2939.43 g/mol
Exact Mass2934.73
IUPAC Name[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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
SMILESCC(F)(F)c1nc2n(n1)CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2.CC(F)(F)c1nnc2n1CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3ocnc3CN3CCOCC3)C4)c2s1.CCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.CN(C)C1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.N#Cc1cc2c(c(-c3ccnc4cc(CO)sc34)c1)OC(C(=O)N1CCCCC1)C2
InChIInChI=1S/C26H26ClN3O4S.C26H24ClN3O3.C25H24ClN3O3S.2C24H20ClF2N5O3S.C23H21N3O3S/c1-2-21(31)23-12-19-26(35-23)17(3-4-28-19)18-11-16(27)9-15-10-22(34-24(15)18)25-20(29-14-33-25)13-30-5-7-32-8-6-30;1-2-23(31)14-3-4-18-17(5-8-29-22(18)10-14)19-12-16(27)9-15-11-24(32-25(15)19)26-20-13-28-7-6-21(20)30-33-26;1-29(2)15-3-4-20-19(10-15)24(32-28-20)22-8-13-7-14(26)9-18(23(13)31-22)17-5-6-27-21-11-16(12-30)33-25(17)21;1-24(26,27)23-30-29-19-10-31(4-5-32(19)23)22(34)18-7-12-6-13(25)8-16(20(12)35-18)15-2-3-28-17-9-14(11-33)36-21(15)17;1-24(26,27)23-29-19-10-31(4-5-32(19)30-23)22(34)18-7-12-6-13(25)8-16(20(12)35-18)15-2-3-28-17-9-14(11-33)36-21(15)17;24-12-14-8-15-10-20(23(28)26-6-2-1-3-7-26)29-21(15)18(9-14)17-4-5-25-19-11-16(13-27)30-22(17)19/h3-4,9,11-12,14,21-22,31H,2,5-8,10,13H2,1H3;3-5,8-10,12,23-24,28,31H,2,6-7,11,13H2,1H3;5-7,9,11,15,22,30H,3-4,8,10,12H2,1-2H3;2*2-3,6,8-9,18,33H,4-5,7,10-11H2,1H3;4-5,8-9,11,20,27H,1-3,6-7,10,13H2
InChIKeyLKCNZDUHQYQAAI-UHFFFAOYSA-N
XLogP28.02
TPSA506.07 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002939.43
LogP ≤ 528.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile?
The IUPAC name of [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile (CID 159374258) is [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile.
What is the SMILES notation for [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile?
The canonical SMILES for [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile is CC(F)(F)c1nc2n(n1)CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2.CC(F)(F)c1nnc2n1CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3ocnc3CN3CCOCC3)C4)c2s1.CCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.CN(C)C1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.N#Cc1cc2c(c(-c3ccnc4cc(CO)sc34)c1)OC(C(=O)N1CCCCC1)C2.
What is the InChIKey of [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile?
The InChIKey is LKCNZDUHQYQAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4S.C26H24ClN3O3.C25H24ClN3O3S.2C24H20ClF2N5O3S.C23H21N3O3S/c1-2-21(31)23-12-19-26(35-23)17(3-4-28-19)18-11-16(27)9-15-10-22(34-24(15)18)25-20(29-14-33-25)13-30-5-7-32-8-6-30;1-2-23(31)14-3-4-18-17(5-8-29-22(18)10-14)19-12-16(27)9-15-11-24(32-25(15)19)26-20-13-28-7-6-21(20)30-33-26;1-29(2)15-3-4-20-19(10-15)24(32-28-20)22-8-13-7-14(26)9-18(23(13)31-22)17-5-6-27-21-11-16(12-30)33-25(17)21;1-24(26,27)23-30-29-19-10-31(4-5-32(19)23)22(34)18-7-12-6-13(25)8-16(20(12)35-18)15-2-3-28-17-9-14(11-33)36-21(15)17;1-24(26,27)23-29-19-10-31(4-5-32(19)30-23)22(34)18-7-12-6-13(25)8-16(20(12)35-18)15-2-3-28-17-9-14(11-33)36-21(15)17;24-12-14-8-15-10-20(23(28)26-6-2-1-3-7-26)29-21(15)18(9-14)17-4-5-25-19-11-16(13-27)30-22(17)19/h3-4,9,11-12,14,21-22,31H,2,5-8,10,13H2,1H3;3-5,8-10,12,23-24,28,31H,2,6-7,11,13H2,1H3;5-7,9,11,15,22,30H,3-4,8,10,12H2,1-2H3;2*2-3,6,8-9,18,33H,4-5,7,10-11H2,1H3;4-5,8-9,11,20,27H,1-3,6-7,10,13H2.
What are the key properties of [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile?
[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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile has a molecular weight of 2939.43 g/mol, XLogP of 28.02, 25 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [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;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;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;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 159374258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).