Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone
C122H128Cl7N19O5 — CID 159434270
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACtert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1cc(Cl)ccc1-n1cc(C2CCC(N)CC2)c2ccncc21.Clc1ccc(-n2cc(C3=CCNCC3)c3ccncc32)cc1.NC1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(n2cc(-c3ccc(Cl)c(Cl)c3)c3cnccc32)CC1
InChIInChI=1S/C23H26ClN3O2.C22H25ClN4O.C20H19Cl2N3O2.C20H22ClN3.C19H20ClN3.C18H16ClN3/c1-23(2,3)29-22(28)26-12-9-16(10-13-26)20-15-27(18-6-4-17(24)5-7-18)21-14-25-11-8-19(20)21;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;21-17-2-1-13(9-18(17)22)16-11-25(19-3-6-23-10-15(16)19)14-4-7-24(8-5-14)20(27)12-26;1-13-10-15(21)4-7-19(13)24-12-18(14-2-5-16(22)6-3-14)17-8-9-23-11-20(17)24;20-14-3-7-16(8-4-14)23-12-18(13-1-5-15(21)6-2-13)17-9-10-22-11-19(17)23;19-14-1-3-15(4-2-14)22-12-17(13-5-8-20-9-6-13)16-7-10-21-11-18(16)22/h4-8,11,14-16H,9-10,12-13H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-3,6,9-11,14,26H,4-5,7-8,12H2;4,7-12,14,16H,2-3,5-6,22H2,1H3;3-4,7-13,15H,1-2,5-6,21H2;1-5,7,10-12,20H,6,8-9H2
InChIKeyLRJIQJACDJMOSX-UHFFFAOYSA-N
MW2188.66 g/mol
LogP27.60
Rot. Bonds15
About Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone
Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 159434270) has the molecular formula C122H128Cl7N19O5 and a molecular weight of 2188.66 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone.
Molecular Properties
| Compound Name | Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone |
|---|---|
| PubChem CID | 159434270 |
| Molecular Formula | C122H128Cl7N19O5 |
| Molecular Weight | 2188.66 g/mol |
| Exact Mass | 2183.82 |
| IUPAC Name | tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone |
| SMILES | CC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1cc(Cl)ccc1-n1cc(C2CCC(N)CC2)c2ccncc21.Clc1ccc(-n2cc(C3=CCNCC3)c3ccncc32)cc1.NC1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(n2cc(-c3ccc(Cl)c(Cl)c3)c3cnccc32)CC1 |
| InChI | InChI=1S/C23H26ClN3O2.C22H25ClN4O.C20H19Cl2N3O2.C20H22ClN3.C19H20ClN3.C18H16ClN3/c1-23(2,3)29-22(28)26-12-9-16(10-13-26)20-15-27(18-6-4-17(24)5-7-18)21-14-25-11-8-19(20)21;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;21-17-2-1-13(9-18(17)22)16-11-25(19-3-6-23-10-15(16)19)14-4-7-24(8-5-14)20(27)12-26;1-13-10-15(21)4-7-19(13)24-12-18(14-2-5-16(22)6-3-14)17-8-9-23-11-20(17)24;20-14-3-7-16(8-4-14)23-12-18(13-1-5-15(21)6-2-13)17-9-10-22-11-19(17)23;19-14-1-3-15(4-2-14)22-12-17(13-5-8-20-9-6-13)16-7-10-21-11-18(16)22/h4-8,11,14-16H,9-10,12-13H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-3,6,9-11,14,26H,4-5,7-8,12H2;4,7-12,14,16H,2-3,5-6,22H2,1H3;3-4,7-13,15H,1-2,5-6,21H2;1-5,7,10-12,20H,6,8-9H2 |
| InChIKey | LRJIQJACDJMOSX-UHFFFAOYSA-N |
| XLogP | 27.60 |
| TPSA | 264.62 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 153 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2188.66 |
| LogP ≤ 5 | 27.60 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone (CID 159434270) is tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone is CC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN(C)CC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1cc(Cl)ccc1-n1cc(C2CCC(N)CC2)c2ccncc21.Clc1ccc(-n2cc(C3=CCNCC3)c3ccncc32)cc1.NC1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CO)N1CCC(n2cc(-c3ccc(Cl)c(Cl)c3)c3cnccc32)CC1.
What is the InChIKey of Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is LRJIQJACDJMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2.C22H25ClN4O.C20H19Cl2N3O2.C20H22ClN3.C19H20ClN3.C18H16ClN3/c1-23(2,3)29-22(28)26-12-9-16(10-13-26)20-15-27(18-6-4-17(24)5-7-18)21-14-25-11-8-19(20)21;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;21-17-2-1-13(9-18(17)22)16-11-25(19-3-6-23-10-15(16)19)14-4-7-24(8-5-14)20(27)12-26;1-13-10-15(21)4-7-19(13)24-12-18(14-2-5-16(22)6-3-14)17-8-9-23-11-20(17)24;20-14-3-7-16(8-4-14)23-12-18(13-1-5-15(21)6-2-13)17-9-10-22-11-19(17)23;19-14-1-3-15(4-2-14)22-12-17(13-5-8-20-9-6-13)16-7-10-21-11-18(16)22/h4-8,11,14-16H,9-10,12-13H2,1-3H3;3-7,10,13-14,16H,8-9,11-12,15H2,1-2H3;1-3,6,9-11,14,26H,4-5,7-8,12H2;4,7-12,14,16H,2-3,5-6,22H2,1H3;3-4,7-13,15H,1-2,5-6,21H2;1-5,7,10-12,20H,6,8-9H2.
What are the key properties of Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone?
Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 2188.66 g/mol, XLogP of 27.60, 15 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine;1-[4-[3-(3,4-dichlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 159434270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159434270 — identifiers, structure, computed properties (public domain)
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