azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane

C158H203Cl5N22O10S9 — CID 159294471

About azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane

azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane (PubChem CID 159294471) has the molecular formula C158H203Cl5N22O10S9 and a molecular weight of 3036.37 g/mol. Its IUPAC name is azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane.

Molecular Properties

• Compound Name: azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane
• PubChem CID: 159294471
• Molecular Formula: C158H203Cl5N22O10S9
• Molecular Weight: 3036.37 g/mol
• Exact Mass: 3031.20
• IUPAC Name: azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane
• SMILES: C.C.C.C.C.C.C.CC1(C)CCCN(C(=O)c2csc(-c3cn[nH]c3)c2)CC1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CCCC(C)(C)CC2)cs1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CCCCC2c2ccccc2)cs1.Cc1noc(C)c1-c1cc(C(=O)N2CCCC(C)(C)CC2)cs1.O=C(c1cc(-c2ccccn2)sc1Cl)N1CCCCCC1.O=C(c1cc(-c2cccnc2)sc1Cl)N1CCCCCC1.O=C(c1cc(-c2ccncc2)sc1Cl)N1CCCCC1.O=C(c1cc(-c2ccncc2)sc1Cl)N1CCCCCC1.O=C(c1cc(-c2cncnc2)sc1Cl)N1CCCCCC1
• InChI: InChI=1S/C21H23N3OS.C18H25N3OS.C18H24N2O2S.3C16H17ClN2OS.C16H21N3OS.C15H16ClN3OS.C15H15ClN2OS.7CH4/c1-14-20(15(2)23-22-14)19-12-17(13-26-19)21(25)24-11-7-6-10-18(24)16-8-4-3-5-9-16;1-12-16(13(2)20-19-12)15-10-14(11-23-15)17(22)21-8-5-6-18(3,4)7-9-21;1-12-16(13(2)22-19-12)15-10-14(11-23-15)17(21)20-8-5-6-18(3,4)7-9-20;17-15-12(16(20)19-9-5-1-2-6-10-19)11-14(21-15)13-7-3-4-8-18-13;17-15-13(16(20)19-9-3-1-2-4-10-19)11-14(21-15)12-5-7-18-8-6-12;17-15-13(16(20)19-8-3-1-2-4-9-19)10-14(21-15)12-6-5-7-18-11-12;1-16(2)4-3-6-19(7-5-16)15(20)12-8-14(21-11-12)13-9-17-18-10-13;16-14-12(15(20)19-5-3-1-2-4-6-19)7-13(21-14)11-8-17-10-18-9-11;16-14-12(15(19)18-8-2-1-3-9-18)10-13(20-14)11-4-6-17-7-5-11;;;;;;;/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3,(H,22,23);10-11H,5-9H2,1-4H3,(H,19,20);10-11H,5-9H2,1-4H3;3-4,7-8,11H,1-2,5-6,9-10H2;5-8,11H,1-4,9-10H2;5-7,10-11H,1-4,8-9H2;8-11H,3-7H2,1-2H3,(H,17,18);7-10H,1-6H2;4-7,10H,1-3,8-9H2;7*1H4
• InChIKey: LANPIVQNYMBNRF-UHFFFAOYSA-N
• XLogP: 43.85
• TPSA: 372.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3036.37
LogP ≤ 5	43.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane?

The IUPAC name of azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane (CID 159294471) is azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane.

What is the SMILES notation for azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane?

The canonical SMILES for azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane is C.C.C.C.C.C.C.CC1(C)CCCN(C(=O)c2csc(-c3cn[nH]c3)c2)CC1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CCCC(C)(C)CC2)cs1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CCCCC2c2ccccc2)cs1.Cc1noc(C)c1-c1cc(C(=O)N2CCCC(C)(C)CC2)cs1.O=C(c1cc(-c2ccccn2)sc1Cl)N1CCCCCC1.O=C(c1cc(-c2cccnc2)sc1Cl)N1CCCCCC1.O=C(c1cc(-c2ccncc2)sc1Cl)N1CCCCC1.O=C(c1cc(-c2ccncc2)sc1Cl)N1CCCCCC1.O=C(c1cc(-c2cncnc2)sc1Cl)N1CCCCCC1.

What is the InChIKey of azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane?

The InChIKey is LANPIVQNYMBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS.C18H25N3OS.C18H24N2O2S.3C16H17ClN2OS.C16H21N3OS.C15H16ClN3OS.C15H15ClN2OS.7CH4/c1-14-20(15(2)23-22-14)19-12-17(13-26-19)21(25)24-11-7-6-10-18(24)16-8-4-3-5-9-16;1-12-16(13(2)20-19-12)15-10-14(11-23-15)17(22)21-8-5-6-18(3,4)7-9-21;1-12-16(13(2)22-19-12)15-10-14(11-23-15)17(21)20-8-5-6-18(3,4)7-9-20;17-15-12(16(20)19-9-5-1-2-6-10-19)11-14(21-15)13-7-3-4-8-18-13;17-15-13(16(20)19-9-3-1-2-4-10-19)11-14(21-15)12-5-7-18-8-6-12;17-15-13(16(20)19-8-3-1-2-4-9-19)10-14(21-15)12-6-5-7-18-11-12;1-16(2)4-3-6-19(7-5-16)15(20)12-8-14(21-11-12)13-9-17-18-10-13;16-14-12(15(20)19-5-3-1-2-4-6-19)7-13(21-14)11-8-17-10-18-9-11;16-14-12(15(19)18-8-2-1-3-9-18)10-13(20-14)11-4-6-17-7-5-11;;;;;;;/h3-5,8-9,12-13,18H,6-7,10-11H2,1-2H3,(H,22,23);10-11H,5-9H2,1-4H3,(H,19,20);10-11H,5-9H2,1-4H3;3-4,7-8,11H,1-2,5-6,9-10H2;5-8,11H,1-4,9-10H2;5-7,10-11H,1-4,8-9H2;8-11H,3-7H2,1-2H3,(H,17,18);7-10H,1-6H2;4-7,10H,1-3,8-9H2;7*1H4.

What are the key properties of azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane?

azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane has a molecular weight of 3036.37 g/mol, XLogP of 43.85, 19 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for azepan-1-yl-(2-chloro-5-pyridin-2-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-3-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyridin-4-ylthiophen-3-yl)methanone;azepan-1-yl-(2-chloro-5-pyrimidin-5-ylthiophen-3-yl)methanone;(2-chloro-5-pyridin-4-ylthiophen-3-yl)-piperidin-1-ylmethanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4,4-dimethylazepan-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(2-phenylpiperidin-1-yl)methanone;methane is sourced from PubChem (CID 159294471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).