[5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile

C141H131Cl8N15O18S4 — CID 158016906

IUPAC[5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile
SMILESN#CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.N#Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CCC4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(O)(CO)CCl)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(O)CCl)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C5(O)COC5)sc34)c2O1)N1CCCCC1
InChIInChI=1S/C24H24Cl2N2O4S.C24H17ClN4O2.C24H22ClN3O3S.C24H23ClN2O4S.C23H22Cl2N2O3S.C22H23ClN2O2/c25-12-24(31,13-29)20-11-18-22(33-20)16(4-5-27-18)17-10-15(26)8-14-9-19(32-21(14)17)23(30)28-6-2-1-3-7-28;25-15-8-14-9-22(24-19-12-27-5-4-20(19)29-31-24)30-23(14)18(10-15)16-3-6-28-21-7-13(11-26)1-2-17(16)21;25-15-10-14-11-20(24(30)28-8-2-1-3-9-28)31-22(14)17(12-15)16-5-7-27-18-13-21(32-23(16)18)19(29)4-6-26;25-15-8-14-9-19(23(28)27-6-2-1-3-7-27)31-21(14)17(10-15)16-4-5-26-18-11-20(32-22(16)18)24(29)12-30-13-24;24-12-18(28)20-11-17-22(31-20)15(4-5-26-17)16-10-14(25)8-13-9-19(30-21(13)16)23(29)27-6-2-1-3-7-27;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h4-5,8,10-11,19,29,31H,1-3,6-7,9,12-13H2;1-3,6-8,10,22,27H,4-5,9,12H2;5,7,10,12-13,19-20,29H,1-4,8-9,11H2;4-5,8,10-11,19,29H,1-3,6-7,9,12-13H2;4-5,8,10-11,18-19,28H,1-3,6-7,9,12H2;7-8,11,13,20H,1-6,9-10,12H2
InChIKeyFFOUWQCAVOKHNQ-UHFFFAOYSA-N
MW2735.58 g/mol
LogP27.53
Rot. Bonds20

About [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile

[5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile (PubChem CID 158016906) has the molecular formula C141H131Cl8N15O18S4 and a molecular weight of 2735.58 g/mol. Its IUPAC name is [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile.

Molecular Properties

Compound Name[5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile
PubChem CID158016906
Molecular FormulaC141H131Cl8N15O18S4
Molecular Weight2735.58 g/mol
Exact Mass2729.62
IUPAC Name[5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile
SMILESN#CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.N#Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CCC4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(O)(CO)CCl)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(O)CCl)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C5(O)COC5)sc34)c2O1)N1CCCCC1
InChIInChI=1S/C24H24Cl2N2O4S.C24H17ClN4O2.C24H22ClN3O3S.C24H23ClN2O4S.C23H22Cl2N2O3S.C22H23ClN2O2/c25-12-24(31,13-29)20-11-18-22(33-20)16(4-5-27-18)17-10-15(26)8-14-9-19(32-21(14)17)23(30)28-6-2-1-3-7-28;25-15-8-14-9-22(24-19-12-27-5-4-20(19)29-31-24)30-23(14)18(10-15)16-3-6-28-21-7-13(11-26)1-2-17(16)21;25-15-10-14-11-20(24(30)28-8-2-1-3-9-28)31-22(14)17(12-15)16-5-7-27-18-13-21(32-23(16)18)19(29)4-6-26;25-15-8-14-9-19(23(28)27-6-2-1-3-7-27)31-21(14)17(10-15)16-4-5-26-18-11-20(32-22(16)18)24(29)12-30-13-24;24-12-18(28)20-11-17-22(31-20)15(4-5-26-17)16-10-14(25)8-13-9-19(30-21(13)16)23(29)27-6-2-1-3-7-27;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h4-5,8,10-11,19,29,31H,1-3,6-7,9,12-13H2;1-3,6-8,10,22,27H,4-5,9,12H2;5,7,10,12-13,19-20,29H,1-4,8-9,11H2;4-5,8,10-11,19,29H,1-3,6-7,9,12-13H2;4-5,8,10-11,18-19,28H,1-3,6-7,9,12H2;7-8,11,13,20H,1-6,9-10,12H2
InChIKeyFFOUWQCAVOKHNQ-UHFFFAOYSA-N
XLogP27.53
TPSA430.29 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002735.58
LogP ≤ 527.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile?
The IUPAC name of [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile (CID 158016906) is [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile.
What is the SMILES notation for [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile?
The canonical SMILES for [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile is N#CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.N#Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CCC4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(O)(CO)CCl)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(O)CCl)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C5(O)COC5)sc34)c2O1)N1CCCCC1.
What is the InChIKey of [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile?
The InChIKey is FFOUWQCAVOKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S.C24H17ClN4O2.C24H22ClN3O3S.C24H23ClN2O4S.C23H22Cl2N2O3S.C22H23ClN2O2/c25-12-24(31,13-29)20-11-18-22(33-20)16(4-5-27-18)17-10-15(26)8-14-9-19(32-21(14)17)23(30)28-6-2-1-3-7-28;25-15-8-14-9-22(24-19-12-27-5-4-20(19)29-31-24)30-23(14)18(10-15)16-3-6-28-21-7-13(11-26)1-2-17(16)21;25-15-10-14-11-20(24(30)28-8-2-1-3-9-28)31-22(14)17(12-15)16-5-7-27-18-13-21(32-23(16)18)19(29)4-6-26;25-15-8-14-9-19(23(28)27-6-2-1-3-7-27)31-21(14)17(10-15)16-4-5-26-18-11-20(32-22(16)18)24(29)12-30-13-24;24-12-18(28)20-11-17-22(31-20)15(4-5-26-17)16-10-14(25)8-13-9-19(30-21(13)16)23(29)27-6-2-1-3-7-27;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h4-5,8,10-11,19,29,31H,1-3,6-7,9,12-13H2;1-3,6-8,10,22,27H,4-5,9,12H2;5,7,10,12-13,19-20,29H,1-4,8-9,11H2;4-5,8,10-11,19,29H,1-3,6-7,9,12-13H2;4-5,8,10-11,18-19,28H,1-3,6-7,9,12H2;7-8,11,13,20H,1-6,9-10,12H2.
What are the key properties of [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile?
[5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile has a molecular weight of 2735.58 g/mol, XLogP of 27.53, 20 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(3-hydroxyoxetan-3-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]-3-hydroxypropanenitrile;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]quinoline-7-carbonitrile is sourced from PubChem (CID 158016906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).