[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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

C157H152Cl6N18O19S6 — CID 158247999

IUPAC[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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
SMILESCC1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)c6ccccc6C5=O)sc34)c2O1)N1CCCCC1.O=C1CCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1
InChIInChI=1S/C30H24ClN3O4S.C27H28ClN3O3S.C26H27ClN4O3S.C26H26ClN3O3S.C24H22ClN3O3S.C24H25ClN2O3S/c31-18-12-17-13-25(30(37)33-10-4-1-5-11-33)38-26(17)23(14-18)20-8-9-32-24-15-19(39-27(20)24)16-34-28(35)21-6-2-3-7-22(21)29(34)36;1-16-5-6-24(32)31(16)15-19-14-22-26(35-19)20(7-8-29-22)21-13-18(28)11-17-12-23(34-25(17)21)27(33)30-9-3-2-4-10-30;1-29-9-10-31(26(29)33)15-18-14-21-24(35-18)19(5-6-28-21)20-13-17(27)11-16-12-22(34-23(16)20)25(32)30-7-3-2-4-8-30;27-17-11-16-12-22(26(32)29-8-2-1-3-9-29)33-24(16)20(13-17)19-6-7-28-21-14-18(34-25(19)21)15-30-10-4-5-23(30)31;1-2-19(29)21-10-18-24(32-21)14(3-6-27-18)15-9-13(25)7-12-8-20(30-22(12)15)23-16-11-26-5-4-17(16)28-31-23;1-2-19(28)21-13-18-23(31-21)16(6-7-26-18)17-12-15(25)10-14-11-20(30-22(14)17)24(29)27-8-4-3-5-9-27/h2-3,6-9,12,14-15,25H,1,4-5,10-11,13,16H2;7-8,11,13-14,16,23H,2-6,9-10,12,15H2,1H3;5-6,11,13-14,22H,2-4,7-10,12,15H2,1H3;6-7,11,13-14,22H,1-5,8-10,12,15H2;3,6-7,9-10,19-20,26,29H,2,4-5,8,11H2,1H3;6-7,10,12-13,19-20,28H,2-5,8-9,11H2,1H3/t;16?,23-;2*22-;;/m.111../s1
InChIKeyGGJCAXHFZHHSQX-CAXQDUMQSA-N
MW3000.17 g/mol
LogP31.77
Rot. Bonds24

About [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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

[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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 (PubChem CID 158247999) has the molecular formula C157H152Cl6N18O19S6 and a molecular weight of 3000.17 g/mol. Its IUPAC name is [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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.

Molecular Properties

Compound Name[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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
PubChem CID158247999
Molecular FormulaC157H152Cl6N18O19S6
Molecular Weight3000.17 g/mol
Exact Mass2994.79
IUPAC Name[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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
SMILESCC1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)c6ccccc6C5=O)sc34)c2O1)N1CCCCC1.O=C1CCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1
InChIInChI=1S/C30H24ClN3O4S.C27H28ClN3O3S.C26H27ClN4O3S.C26H26ClN3O3S.C24H22ClN3O3S.C24H25ClN2O3S/c31-18-12-17-13-25(30(37)33-10-4-1-5-11-33)38-26(17)23(14-18)20-8-9-32-24-15-19(39-27(20)24)16-34-28(35)21-6-2-3-7-22(21)29(34)36;1-16-5-6-24(32)31(16)15-19-14-22-26(35-19)20(7-8-29-22)21-13-18(28)11-17-12-23(34-25(17)21)27(33)30-9-3-2-4-10-30;1-29-9-10-31(26(29)33)15-18-14-21-24(35-18)19(5-6-28-21)20-13-17(27)11-16-12-22(34-23(16)20)25(32)30-7-3-2-4-8-30;27-17-11-16-12-22(26(32)29-8-2-1-3-9-29)33-24(16)20(13-17)19-6-7-28-21-14-18(34-25(19)21)15-30-10-4-5-23(30)31;1-2-19(29)21-10-18-24(32-21)14(3-6-27-18)15-9-13(25)7-12-8-20(30-22(12)15)23-16-11-26-5-4-17(16)28-31-23;1-2-19(28)21-13-18-23(31-21)16(6-7-26-18)17-12-15(25)10-14-11-20(30-22(14)17)24(29)27-8-4-3-5-9-27/h2-3,6-9,12,14-15,25H,1,4-5,10-11,13,16H2;7-8,11,13-14,16,23H,2-6,9-10,12,15H2,1H3;5-6,11,13-14,22H,2-4,7-10,12,15H2,1H3;6-7,11,13-14,22H,1-5,8-10,12,15H2;3,6-7,9-10,19-20,26,29H,2,4-5,8,11H2,1H3;6-7,10,12-13,19-20,28H,2-5,8-9,11H2,1H3/t;16?,23-;2*22-;;/m.111../s1
InChIKeyGGJCAXHFZHHSQX-CAXQDUMQSA-N
XLogP31.77
TPSA414.34 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003000.17
LogP ≤ 531.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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?
The IUPAC name of [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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 158247999) is [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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.
What is the SMILES notation for [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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?
The canonical SMILES for [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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 is CC1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)c6ccccc6C5=O)sc34)c2O1)N1CCCCC1.O=C1CCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.
What is the InChIKey of [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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?
The InChIKey is GGJCAXHFZHHSQX-CAXQDUMQSA-N. The full InChI is InChI=1S/C30H24ClN3O4S.C27H28ClN3O3S.C26H27ClN4O3S.C26H26ClN3O3S.C24H22ClN3O3S.C24H25ClN2O3S/c31-18-12-17-13-25(30(37)33-10-4-1-5-11-33)38-26(17)23(14-18)20-8-9-32-24-15-19(39-27(20)24)16-34-28(35)21-6-2-3-7-22(21)29(34)36;1-16-5-6-24(32)31(16)15-19-14-22-26(35-19)20(7-8-29-22)21-13-18(28)11-17-12-23(34-25(17)21)27(33)30-9-3-2-4-10-30;1-29-9-10-31(26(29)33)15-18-14-21-24(35-18)19(5-6-28-21)20-13-17(27)11-16-12-22(34-23(16)20)25(32)30-7-3-2-4-8-30;27-17-11-16-12-22(26(32)29-8-2-1-3-9-29)33-24(16)20(13-17)19-6-7-28-21-14-18(34-25(19)21)15-30-10-4-5-23(30)31;1-2-19(29)21-10-18-24(32-21)14(3-6-27-18)15-9-13(25)7-12-8-20(30-22(12)15)23-16-11-26-5-4-17(16)28-31-23;1-2-19(28)21-13-18-23(31-21)16(6-7-26-18)17-12-15(25)10-14-11-20(30-22(14)17)24(29)27-8-4-3-5-9-27/h2-3,6-9,12,14-15,25H,1,4-5,10-11,13,16H2;7-8,11,13-14,16,23H,2-6,9-10,12,15H2,1H3;5-6,11,13-14,22H,2-4,7-10,12,15H2,1H3;6-7,11,13-14,22H,1-5,8-10,12,15H2;3,6-7,9-10,19-20,26,29H,2,4-5,8,11H2,1H3;6-7,10,12-13,19-20,28H,2-5,8-9,11H2,1H3/t;16?,23-;2*22-;;/m.111../s1.
What are the key properties of [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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?
[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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 has a molecular weight of 3000.17 g/mol, XLogP of 31.77, 24 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;2-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one;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 is sourced from PubChem (CID 158247999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).