3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-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-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone

C119H119Cl4N19O8 — CID 164974396

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-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-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-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-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone (PubChem CID 164974396) has the molecular formula C119H119Cl4N19O8 and a molecular weight of 2085.20 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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone.

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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone
• PubChem CID: 164974396
• Molecular Formula: C119H119Cl4N19O8
• Molecular Weight: 2085.20 g/mol
• Exact Mass: 2081.82
• IUPAC Name: 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-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-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone
• SMILES: COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)cnc32)cc1.Cn1cc(-c2cccc(Cl)c2)c2ccc(C(=O)N3CCCCC3)cc21.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
• InChI: InChI=1S/C21H20ClN3O.C21H21ClN2O.C20H19ClN2O.C20H22N4O2.C19H20N4O2.C18H17ClN4O/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;1-23-14-19(15-6-5-7-17(22)12-15)18-9-8-16(13-20(18)23)21(25)24-10-3-2-4-11-24;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;1-14-7-9-23(10-8-14)20(25)15-11-18-19(21-12-15)24(13-22-18)16-3-5-17(26-2)6-4-16;1-25-16-7-5-15(6-8-16)23-13-21-17-11-14(12-20-18(17)23)19(24)22-9-3-2-4-10-22;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/h2,5-10,13,15-16H,1,3-4,11-12H2;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13,22H,1-3,9-10H2;3-6,11-14H,7-10H2,1-2H3;5-8,11-13H,2-4,9-10H2,1H3;4-6,9-12H,1-3,7-8H2
• InChIKey: DOLUYJVCLIALNP-UHFFFAOYSA-N
• XLogP: 24.85
• TPSA: 270.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.20
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone?

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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone (CID 164974396) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-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-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone.

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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone?

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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone is COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)cnc32)cc1.Cn1cc(-c2cccc(Cl)c2)c2ccc(C(=O)N3CCCCC3)cc21.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.

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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone?

The InChIKey is DOLUYJVCLIALNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O.C21H21ClN2O.C20H19ClN2O.C20H22N4O2.C19H20N4O2.C18H17ClN4O/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;1-23-14-19(15-6-5-7-17(22)12-15)18-9-8-16(13-20(18)23)21(25)24-10-3-2-4-11-24;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;1-14-7-9-23(10-8-14)20(25)15-11-18-19(21-12-15)24(13-22-18)16-3-5-17(26-2)6-4-16;1-25-16-7-5-15(6-8-16)23-13-21-17-11-14(12-20-18(17)23)19(24)22-9-3-2-4-10-22;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/h2,5-10,13,15-16H,1,3-4,11-12H2;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13,22H,1-3,9-10H2;3-6,11-14H,7-10H2,1-2H3;5-8,11-13H,2-4,9-10H2,1H3;4-6,9-12H,1-3,7-8H2.

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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone?

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-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-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 2085.20 g/mol, XLogP of 24.85, 14 rotatable bonds, 1 hydrogen bond donors, and 20 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-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1-methylindol-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 164974396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).