[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

C144H147Cl6N19O19S3 — CID 158184324

IUPAC[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
SMILESCCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1.CCC1(CO)Cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2C1.CCCC1(CO)Cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O2)C1.Cc1nnc2n1CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2
InChIInChI=1S/C26H31ClN2O3.C25H29ClN2O3.C24H22ClN3O3S.C23H20ClN5O3S.C23H21ClN4O4.C23H24ClN3O3S/c1-2-7-26(16-30)14-21-19(6-8-28-22(21)15-26)20-13-18(27)11-17-12-23(32-24(17)20)25(31)29-9-4-3-5-10-29;1-2-25(15-29)13-20-18(6-7-27-21(20)14-25)19-12-17(26)10-16-11-22(31-23(16)19)24(30)28-8-4-3-5-9-28;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;1-12-26-27-20-10-28(4-5-29(12)20)23(31)19-7-13-6-14(24)8-17(21(13)32-19)16-2-3-25-18-9-15(11-30)33-22(16)18;1-2-17(29)18-8-16-23(30-18)20(27-10-26-16)13-7-12(24)5-11-6-19(31-21(11)13)22-14-9-25-4-3-15(14)28-32-22;1-26(2)15-4-6-27(11-15)23(29)20-8-13-7-14(24)9-18(21(13)30-20)17-3-5-25-19-10-16(12-28)31-22(17)19/h6,8,11,13,23,30H,2-5,7,9-10,12,14-16H2,1H3;6-7,10,12,22,29H,2-5,8-9,11,13-15H2,1H3;3,6-7,9-10,19-20,26,29H,2,4-5,8,11H2,1H3;2-3,6,8-9,19,30H,4-5,7,10-11H2,1H3;5,7-8,10,17,19,25,29H,2-4,6,9H2,1H3;3,5,7,9-10,15,20,28H,4,6,8,11-12H2,1-2H3
InChIKeyFYYSAVJSFSAIDD-UHFFFAOYSA-N
MW2756.79 g/mol
LogP25.40
Rot. Bonds24

About [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

[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 (PubChem CID 158184324) has the molecular formula C144H147Cl6N19O19S3 and a molecular weight of 2756.79 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158184324
Molecular FormulaC144H147Cl6N19O19S3
Molecular Weight2756.79 g/mol
Exact Mass2751.84
IUPAC Name[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
SMILESCCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1.CCC1(CO)Cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2C1.CCCC1(CO)Cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O2)C1.Cc1nnc2n1CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2
InChIInChI=1S/C26H31ClN2O3.C25H29ClN2O3.C24H22ClN3O3S.C23H20ClN5O3S.C23H21ClN4O4.C23H24ClN3O3S/c1-2-7-26(16-30)14-21-19(6-8-28-22(21)15-26)20-13-18(27)11-17-12-23(32-24(17)20)25(31)29-9-4-3-5-10-29;1-2-25(15-29)13-20-18(6-7-27-21(20)14-25)19-12-17(26)10-16-11-22(31-23(16)19)24(30)28-8-4-3-5-9-28;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;1-12-26-27-20-10-28(4-5-29(12)20)23(31)19-7-13-6-14(24)8-17(21(13)32-19)16-2-3-25-18-9-15(11-30)33-22(16)18;1-2-17(29)18-8-16-23(30-18)20(27-10-26-16)13-7-12(24)5-11-6-19(31-21(11)13)22-14-9-25-4-3-15(14)28-32-22;1-26(2)15-4-6-27(11-15)23(29)20-8-13-7-14(24)9-18(21(13)30-20)17-3-5-25-19-10-16(12-28)31-22(17)19/h6,8,11,13,23,30H,2-5,7,9-10,12,14-16H2,1H3;6-7,10,12,22,29H,2-5,8-9,11,13-15H2,1H3;3,6-7,9-10,19-20,26,29H,2,4-5,8,11H2,1H3;2-3,6,8-9,19,30H,4-5,7,10-11H2,1H3;5,7-8,10,17,19,25,29H,2-4,6,9H2,1H3;3,5,7,9-10,15,20,28H,4,6,8,11-12H2,1-2H3
InChIKeyFYYSAVJSFSAIDD-UHFFFAOYSA-N
XLogP25.40
TPSA471.44 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.79
LogP ≤ 525.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1.CCC1(CO)Cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2C1.CCCC1(CO)Cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O2)C1.Cc1nnc2n1CCN(C(=O)C1Cc3cc(Cl)cc(-c4ccnc5cc(CO)sc45)c3O1)C2.
What is the InChIKey of [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?
The InChIKey is FYYSAVJSFSAIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O3.C25H29ClN2O3.C24H22ClN3O3S.C23H20ClN5O3S.C23H21ClN4O4.C23H24ClN3O3S/c1-2-7-26(16-30)14-21-19(6-8-28-22(21)15-26)20-13-18(27)11-17-12-23(32-24(17)20)25(31)29-9-4-3-5-10-29;1-2-25(15-29)13-20-18(6-7-27-21(20)14-25)19-12-17(26)10-16-11-22(31-23(16)19)24(30)28-8-4-3-5-9-28;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;1-12-26-27-20-10-28(4-5-29(12)20)23(31)19-7-13-6-14(24)8-17(21(13)32-19)16-2-3-25-18-9-15(11-30)33-22(16)18;1-2-17(29)18-8-16-23(30-18)20(27-10-26-16)13-7-12(24)5-11-6-19(31-21(11)13)22-14-9-25-4-3-15(14)28-32-22;1-26(2)15-4-6-27(11-15)23(29)20-8-13-7-14(24)9-18(21(13)30-20)17-3-5-25-19-10-16(12-28)31-22(17)19/h6,8,11,13,23,30H,2-5,7,9-10,12,14-16H2,1H3;6-7,10,12,22,29H,2-5,8-9,11,13-15H2,1H3;3,6-7,9-10,19-20,26,29H,2,4-5,8,11H2,1H3;2-3,6,8-9,19,30H,4-5,7,10-11H2,1H3;5,7-8,10,17,19,25,29H,2-4,6,9H2,1H3;3,5,7,9-10,15,20,28H,4,6,8,11-12H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 2756.79 g/mol, XLogP of 25.40, 24 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158184324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).