3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine

C169H152Cl7F6N25O18S5 — CID 161227852

IUPAC3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine
SMILESCC(=O)NC(C)Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(NCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1)C(F)(F)F.COc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.Clc1cc2c(c(-c3ccnc4c3CC3(COCOC3)C4)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ccnc4cc(-c5ccn[nH]5)sc34)c1)OC(c1onc3c1CNCC3)C2.FC(F)(F)CNCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1
InChIInChI=1S/C26H28ClN3O3S.C25H22ClF3N4O2S.C25H24ClN3O4.C24H20ClF3N4O2S.C24H18ClN5O2S.C24H20ClN3O3.C21H20ClN3O2S/c1-15(29-16(2)31)10-19-14-22-25(34-19)20(6-7-28-22)21-13-18(27)11-17-12-23(33-24(17)21)26(32)30-8-4-3-5-9-30;1-12(25(27,28)29)32-10-15-9-20-24(36-15)16(2-5-31-20)17-8-14(26)6-13-7-21(34-22(13)17)23-18-11-30-4-3-19(18)33-35-23;26-15-5-14-6-22(24-19-10-27-3-2-20(19)29-33-24)32-23(14)17(7-15)16-1-4-28-21-9-25(8-18(16)21)11-30-13-31-12-25;25-13-5-12-6-20(22-17-10-29-3-2-18(17)32-34-22)33-21(12)16(7-13)15-1-4-31-19-8-14(35-23(15)19)9-30-11-24(26,27)28;25-13-7-12-8-20(23-16-11-26-4-2-17(16)30-32-23)31-22(12)15(9-13)14-1-5-27-19-10-21(33-24(14)19)18-3-6-28-29-18;1-29-15-2-3-17-16(4-7-27-21(17)11-15)18-10-14(25)8-13-9-22(30-23(13)18)24-19-12-26-6-5-20(19)28-31-24;1-12-7-16-20(28-12)18(24-11-23-16)15-10-14(22)8-13-9-17(27-19(13)15)21(26)25-5-3-2-4-6-25/h6-7,11,13-15,23H,3-5,8-10,12H2,1-2H3,(H,29,31);2,5-6,8-9,12,21,30,32H,3-4,7,10-11H2,1H3;1,4-5,7,22,27H,2-3,6,8-13H2;1,4-5,7-8,20,29-30H,2-3,6,9-11H2;1,3,5-7,9-10,20,26H,2,4,8,11H2,(H,28,29);2-4,7-8,10-11,22,26H,5-6,9,12H2,1H3;7-8,10-11,17H,2-6,9H2,1H3
InChIKeyUYJABHSJXSGLED-UHFFFAOYSA-N
MW3343.73 g/mol
LogP35.17
Rot. Bonds25

About 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine

3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine (PubChem CID 161227852) has the molecular formula C169H152Cl7F6N25O18S5 and a molecular weight of 3343.73 g/mol. Its IUPAC name is 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine
PubChem CID161227852
Molecular FormulaC169H152Cl7F6N25O18S5
Molecular Weight3343.73 g/mol
Exact Mass3337.81
IUPAC Name3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine
SMILESCC(=O)NC(C)Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(NCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1)C(F)(F)F.COc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.Clc1cc2c(c(-c3ccnc4c3CC3(COCOC3)C4)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ccnc4cc(-c5ccn[nH]5)sc34)c1)OC(c1onc3c1CNCC3)C2.FC(F)(F)CNCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1
InChIInChI=1S/C26H28ClN3O3S.C25H22ClF3N4O2S.C25H24ClN3O4.C24H20ClF3N4O2S.C24H18ClN5O2S.C24H20ClN3O3.C21H20ClN3O2S/c1-15(29-16(2)31)10-19-14-22-25(34-19)20(6-7-28-22)21-13-18(27)11-17-12-23(33-24(17)21)26(32)30-8-4-3-5-9-30;1-12(25(27,28)29)32-10-15-9-20-24(36-15)16(2-5-31-20)17-8-14(26)6-13-7-21(34-22(13)17)23-18-11-30-4-3-19(18)33-35-23;26-15-5-14-6-22(24-19-10-27-3-2-20(19)29-33-24)32-23(14)17(7-15)16-1-4-28-21-9-25(8-18(16)21)11-30-13-31-12-25;25-13-5-12-6-20(22-17-10-29-3-2-18(17)32-34-22)33-21(12)16(7-13)15-1-4-31-19-8-14(35-23(15)19)9-30-11-24(26,27)28;25-13-7-12-8-20(23-16-11-26-4-2-17(16)30-32-23)31-22(12)15(9-13)14-1-5-27-19-10-21(33-24(14)19)18-3-6-28-29-18;1-29-15-2-3-17-16(4-7-27-21(17)11-15)18-10-14(25)8-13-9-22(30-23(13)18)24-19-12-26-6-5-20(19)28-31-24;1-12-7-16-20(28-12)18(24-11-23-16)15-10-14(22)8-13-9-17(27-19(13)15)21(26)25-5-3-2-4-6-25/h6-7,11,13-15,23H,3-5,8-10,12H2,1-2H3,(H,29,31);2,5-6,8-9,12,21,30,32H,3-4,7,10-11H2,1H3;1,4-5,7,22,27H,2-3,6,8-13H2;1,4-5,7-8,20,29-30H,2-3,6,9-11H2;1,3,5-7,9-10,20,26H,2,4,8,11H2,(H,28,29);2-4,7-8,10-11,22,26H,5-6,9,12H2,1H3;7-8,10-11,17H,2-6,9H2,1H3
InChIKeyUYJABHSJXSGLED-UHFFFAOYSA-N
XLogP35.17
TPSA508.18 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003343.73
LogP ≤ 535.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Analyze 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine (CID 161227852) is 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine is CC(=O)NC(C)Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(NCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1)C(F)(F)F.COc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.Clc1cc2c(c(-c3ccnc4c3CC3(COCOC3)C4)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ccnc4cc(-c5ccn[nH]5)sc34)c1)OC(c1onc3c1CNCC3)C2.FC(F)(F)CNCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.
What is the InChIKey of 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine?
The InChIKey is UYJABHSJXSGLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3S.C25H22ClF3N4O2S.C25H24ClN3O4.C24H20ClF3N4O2S.C24H18ClN5O2S.C24H20ClN3O3.C21H20ClN3O2S/c1-15(29-16(2)31)10-19-14-22-25(34-19)20(6-7-28-22)21-13-18(27)11-17-12-23(33-24(17)21)26(32)30-8-4-3-5-9-30;1-12(25(27,28)29)32-10-15-9-20-24(36-15)16(2-5-31-20)17-8-14(26)6-13-7-21(34-22(13)17)23-18-11-30-4-3-19(18)33-35-23;26-15-5-14-6-22(24-19-10-27-3-2-20(19)29-33-24)32-23(14)17(7-15)16-1-4-28-21-9-25(8-18(16)21)11-30-13-31-12-25;25-13-5-12-6-20(22-17-10-29-3-2-18(17)32-34-22)33-21(12)16(7-13)15-1-4-31-19-8-14(35-23(15)19)9-30-11-24(26,27)28;25-13-7-12-8-20(23-16-11-26-4-2-17(16)30-32-23)31-22(12)15(9-13)14-1-5-27-19-10-21(33-24(14)19)18-3-6-28-29-18;1-29-15-2-3-17-16(4-7-27-21(17)11-15)18-10-14(25)8-13-9-22(30-23(13)18)24-19-12-26-6-5-20(19)28-31-24;1-12-7-16-20(28-12)18(24-11-23-16)15-10-14(22)8-13-9-17(27-19(13)15)21(26)25-5-3-2-4-6-25/h6-7,11,13-15,23H,3-5,8-10,12H2,1-2H3,(H,29,31);2,5-6,8-9,12,21,30,32H,3-4,7,10-11H2,1H3;1,4-5,7,22,27H,2-3,6,8-13H2;1,4-5,7-8,20,29-30H,2-3,6,9-11H2;1,3,5-7,9-10,20,26H,2,4,8,11H2,(H,28,29);2-4,7-8,10-11,22,26H,5-6,9,12H2,1H3;7-8,10-11,17H,2-6,9H2,1H3.
What are the key properties of 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine?
3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine has a molecular weight of 3343.73 g/mol, XLogP of 35.17, 25 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;[5-chloro-7-(6-methylthieno[3,2-d]pyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]acetamide;3-[5-chloro-7-[2-(1H-pyrazol-5-yl)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;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]spiro[1,3-dioxane-5,6'-5,7-dihydrocyclopenta[b]pyridine];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]-2,2,2-trifluoroethanamine;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]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 161227852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).