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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone

C115H113Cl4N19O7S — CID 164952450

IUPAC3,3a,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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-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.O=C(c1cnc2c(ccn2-c2cscn2)c1)N1CCCCC1
InChIInChI=1S/C21H20ClN3O.C21H21ClN2O.C20H19ClN2O.C19H20N4O2.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;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;1-25-16-7-5-15(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;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;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13,22H,1-3,9-10H2;5-8,11-13H,2-4,9-10H2,1H3;4-6,9-12H,1-3,7-8H2;4,7-11H,1-3,5-6H2
InChIKeyASKQXSRCICFPIY-UHFFFAOYSA-N
MW2047.17 g/mol
LogP24.65
Rot. Bonds13

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]-piperidin-1-ylmethanone;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-(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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 164952450) has the molecular formula C115H113Cl4N19O7S and a molecular weight of 2047.17 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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name3,3a,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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID164952450
Molecular FormulaC115H113Cl4N19O7S
Molecular Weight2047.17 g/mol
Exact Mass2043.75
IUPAC Name3,3a,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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-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.O=C(c1cnc2c(ccn2-c2cscn2)c1)N1CCCCC1
InChIInChI=1S/C21H20ClN3O.C21H21ClN2O.C20H19ClN2O.C19H20N4O2.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;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;1-25-16-7-5-15(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;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;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13,22H,1-3,9-10H2;5-8,11-13H,2-4,9-10H2,1H3;4-6,9-12H,1-3,7-8H2;4,7-11H,1-3,5-6H2
InChIKeyASKQXSRCICFPIY-UHFFFAOYSA-N
XLogP24.65
TPSA261.76 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.17
LogP ≤ 524.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone with MolForge

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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]-piperidin-1-ylmethanone;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-(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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 164952450) 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]-piperidin-1-ylmethanone;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-(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]-piperidin-1-ylmethanone;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-(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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone is 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.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-(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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is ASKQXSRCICFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O.C21H21ClN2O.C20H19ClN2O.C19H20N4O2.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;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;1-25-16-7-5-15(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;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;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13,22H,1-3,9-10H2;5-8,11-13H,2-4,9-10H2,1H3;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-(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]-piperidin-1-ylmethanone;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-(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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 2047.17 g/mol, XLogP of 24.65, 13 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]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 164952450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).