2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone

C131H144Cl6N20O9 — CID 159596360

IUPAC2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3ccccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C28H33ClN2O3.C22H25ClN4O.C21H23ClN4O.C20H21ClN4O.C20H20ClN3O2.C20H22ClN3O/c1-28(2,3)34-27(33)10-6-9-26(32)30-17-15-20(16-18-30)24-19-31(22-13-11-21(29)12-14-22)25-8-5-4-7-23(24)25;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;22-16-1-3-17(4-2-16)26-14-19(18-6-10-24-13-20(18)26)15-7-11-25(12-8-15)21(27)5-9-23;21-15-1-3-16(4-2-15)25-13-18(17-5-8-23-12-19(17)25)14-6-9-24(10-7-14)20(26)11-22;21-15-1-3-16(4-2-15)24-12-18(17-5-8-22-11-19(17)24)14-6-9-23(10-7-14)20(26)13-25;21-16-1-3-17(4-2-16)24-14-19(18-5-8-22-13-20(18)24)15-6-9-23(10-7-15)11-12-25/h4-5,7-8,11-14,19-20H,6,9-10,15-18H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-4,6,10,13-15H,5,7-9,11-12,23H2;1-5,8,12-14H,6-7,9-11,22H2;1-5,8,11-12,14,25H,6-7,9-10,13H2;1-5,8,13-15,25H,6-7,9-12H2
InChIKeyMKWYGKLGBORVCG-UHFFFAOYSA-N
MW2355.44 g/mol
LogP24.75
Rot. Bonds24

About 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone

2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 159596360) has the molecular formula C131H144Cl6N20O9 and a molecular weight of 2355.44 g/mol. Its IUPAC name is 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID159596360
Molecular FormulaC131H144Cl6N20O9
Molecular Weight2355.44 g/mol
Exact Mass2350.96
IUPAC Name2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3ccccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C28H33ClN2O3.C22H25ClN4O.C21H23ClN4O.C20H21ClN4O.C20H20ClN3O2.C20H22ClN3O/c1-28(2,3)34-27(33)10-6-9-26(32)30-17-15-20(16-18-30)24-19-31(22-13-11-21(29)12-14-22)25-8-5-4-7-23(24)25;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;22-16-1-3-17(4-2-16)26-14-19(18-6-10-24-13-20(18)26)15-7-11-25(12-8-15)21(27)5-9-23;21-15-1-3-16(4-2-15)25-13-18(17-5-8-23-12-19(17)25)14-6-9-24(10-7-14)20(26)11-22;21-15-1-3-16(4-2-15)24-12-18(17-5-8-22-11-19(17)24)14-6-9-23(10-7-14)20(26)13-25;21-16-1-3-17(4-2-16)24-14-19(18-5-8-22-13-20(18)24)15-6-9-23(10-7-15)11-12-25/h4-5,7-8,11-14,19-20H,6,9-10,15-18H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-4,6,10,13-15H,5,7-9,11-12,23H2;1-5,8,12-14H,6-7,9-11,22H2;1-5,8,11-12,14,25H,6-7,9-10,13H2;1-5,8,13-15,25H,6-7,9-12H2
InChIKeyMKWYGKLGBORVCG-UHFFFAOYSA-N
XLogP24.75
TPSA320.86 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.44
LogP ≤ 524.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone (CID 159596360) is 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone is CC(C)(C)OC(=O)CCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3ccccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is MKWYGKLGBORVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O3.C22H25ClN4O.C21H23ClN4O.C20H21ClN4O.C20H20ClN3O2.C20H22ClN3O/c1-28(2,3)34-27(33)10-6-9-26(32)30-17-15-20(16-18-30)24-19-31(22-13-11-21(29)12-14-22)25-8-5-4-7-23(24)25;1-25(2)15-22(28)26-11-8-16(9-12-26)20-14-27(18-5-3-17(23)4-6-18)21-13-24-10-7-19(20)21;22-16-1-3-17(4-2-16)26-14-19(18-6-10-24-13-20(18)26)15-7-11-25(12-8-15)21(27)5-9-23;21-15-1-3-16(4-2-15)25-13-18(17-5-8-23-12-19(17)25)14-6-9-24(10-7-14)20(26)11-22;21-15-1-3-16(4-2-15)24-12-18(17-5-8-22-11-19(17)24)14-6-9-23(10-7-14)20(26)13-25;21-16-1-3-17(4-2-16)24-14-19(18-5-8-22-13-20(18)24)15-6-9-23(10-7-15)11-12-25/h4-5,7-8,11-14,19-20H,6,9-10,15-18H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-4,6,10,13-15H,5,7-9,11-12,23H2;1-5,8,12-14H,6-7,9-11,22H2;1-5,8,11-12,14,25H,6-7,9-10,13H2;1-5,8,13-15,25H,6-7,9-12H2.
What are the key properties of 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone?
2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 2355.44 g/mol, XLogP of 24.75, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;3-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;tert-butyl 5-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 159596360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).