3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone

C112H110Cl5N23O6S — CID 167566292

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 167566292) has the molecular formula C112H110Cl5N23O6S and a molecular weight of 2083.60 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
• PubChem CID: 167566292
• Molecular Formula: C112H110Cl5N23O6S
• Molecular Weight: 2083.60 g/mol
• Exact Mass: 2079.72
• IUPAC Name: 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
• SMILES: CC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cnccn2)CC1.Cc1ncc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cn1.O=C(c1ccc2c(-c3cccc(Cl)c3)c[nH]c2c1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CC2CCCC2C1.O=C(c1cnc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cscn2)c1)N1CCCCC1
• InChI: InChI=1S/C21H20ClN3O.C20H19ClN2O.C19H20ClN5O.C18H18ClN5O.C18H17ClN4O.C16H16N4OS/c22-17-5-2-6-18(10-17)25-13-23-19-9-14(7-8-20(19)25)21(26)24-11-15-3-1-4-16(15)12-24;21-16-6-4-5-14(11-16)18-13-22-19-12-15(7-8-17(18)19)20(24)23-9-2-1-3-10-23;1-12-3-5-24(6-4-12)19(26)14-7-16-17(20)11-25(18(16)23-8-14)15-9-21-13(2)22-10-15;1-12-2-6-23(7-3-12)18(25)13-8-14-15(19)11-24(17(14)22-9-13)16-10-20-4-5-21-16;19-14-5-4-6-15(10-14)23-12-21-16-9-13(11-20-17(16)23)18(24)22-7-2-1-3-8-22;21-16(19-5-2-1-3-6-19)13-8-12-4-7-20(15(12)17-9-13)14-10-22-11-18-14/h2,5-10,13,15-16H,1,3-4,11-12H2;4-8,11-13,22H,1-3,9-10H2;7-12H,3-6H2,1-2H3;4-5,8-12H,2-3,6-7H2,1H3;4-6,9-12H,1-3,7-8H2;4,7-11H,1-3,5-6H2
• InChIKey: FIEIZKUFSGSUJB-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 304.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2083.60
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 167566292) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone.

What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone is CC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cnccn2)CC1.Cc1ncc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cn1.O=C(c1ccc2c(-c3cccc(Cl)c3)c[nH]c2c1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CC2CCCC2C1.O=C(c1cnc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cscn2)c1)N1CCCCC1.

What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

The InChIKey is FIEIZKUFSGSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O.C20H19ClN2O.C19H20ClN5O.C18H18ClN5O.C18H17ClN4O.C16H16N4OS/c22-17-5-2-6-18(10-17)25-13-23-19-9-14(7-8-20(19)25)21(26)24-11-15-3-1-4-16(15)12-24;21-16-6-4-5-14(11-16)18-13-22-19-12-15(7-8-17(18)19)20(24)23-9-2-1-3-10-23;1-12-3-5-24(6-4-12)19(26)14-7-16-17(20)11-25(18(16)23-8-14)15-9-21-13(2)22-10-15;1-12-2-6-23(7-3-12)18(25)13-8-14-15(19)11-24(17(14)22-9-13)16-10-20-4-5-21-16;19-14-5-4-6-15(10-14)23-12-21-16-9-13(11-20-17(16)23)18(24)22-7-2-1-3-8-22;21-16(19-5-2-1-3-6-19)13-8-12-4-7-20(15(12)17-9-13)14-10-22-11-18-14/h2,5-10,13,15-16H,1,3-4,11-12H2;4-8,11-13,22H,1-3,9-10H2;7-12H,3-6H2,1-2H3;4-5,8-12H,2-3,6-7H2,1H3;4-6,9-12H,1-3,7-8H2;4,7-11H,1-3,5-6H2.

What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 2083.60 g/mol, XLogP of 23.46, 12 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 167566292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).