N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
C131H151Cl3F2N24O13 — CID 158865171
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(Cl)cc2)N3)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(F)cc2)N3)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2cccc(Cl)c2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC(C)(C)N3)C1.C[C@]1(c2ccc(Cl)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cnc2N1
InChIInChI=1S/C23H25FN4O2.C22H23ClN4O3.2C22H25ClN4O2.C22H25FN4O2.C20H28N4O2/c1-23(17-4-6-18(24)7-5-17)12-15-11-16(13-25-21(15)26-23)22(30)27-10-8-19(14-27)28-9-2-3-20(28)29;1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17;1-14(28)26(3)19-7-8-27(13-19)21(29)16-9-15-11-22(2,25-20(15)24-12-16)17-5-4-6-18(23)10-17;1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17;1-20(2)10-14-9-15(11-21-17(14)22-20)19(26)24-8-7-16(12-24)23(3)18(25)13-5-4-6-13/h4-7,11,13,19H,2-3,8-10,12,14H2,1H3,(H,25,26);2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25);4-6,9-10,12,19H,7-8,11,13H2,1-3H3,(H,24,25);4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25);9,11,13,16H,4-8,10,12H2,1-3H3,(H,21,22)/t19-,23+;18-,22+;3*19-,22+;16-/m000000/s1
InChIKeyJBDGXSCKTPQWHW-VSPFMPRESA-N
MW2414.16 g/mol
LogP17.95
Rot. Bonds18
About N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 158865171) has the molecular formula C131H151Cl3F2N24O13 and a molecular weight of 2414.16 g/mol. Its IUPAC name is N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one.
Molecular Properties
| Compound Name | N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one |
|---|---|
| PubChem CID | 158865171 |
| Molecular Formula | C131H151Cl3F2N24O13 |
| Molecular Weight | 2414.16 g/mol |
| Exact Mass | 2411.09 |
| IUPAC Name | N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one |
| SMILES | CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(Cl)cc2)N3)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(F)cc2)N3)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2cccc(Cl)c2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC(C)(C)N3)C1.C[C@]1(c2ccc(Cl)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cnc2N1 |
| InChI | InChI=1S/C23H25FN4O2.C22H23ClN4O3.2C22H25ClN4O2.C22H25FN4O2.C20H28N4O2/c1-23(17-4-6-18(24)7-5-17)12-15-11-16(13-25-21(15)26-23)22(30)27-10-8-19(14-27)28-9-2-3-20(28)29;1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17;1-14(28)26(3)19-7-8-27(13-19)21(29)16-9-15-11-22(2,25-20(15)24-12-16)17-5-4-6-18(23)10-17;1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17;1-20(2)10-14-9-15(11-21-17(14)22-20)19(26)24-8-7-16(12-24)23(3)18(25)13-5-4-6-13/h4-7,11,13,19H,2-3,8-10,12,14H2,1H3,(H,25,26);2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25);4-6,9-10,12,19H,7-8,11,13H2,1-3H3,(H,24,25);4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25);9,11,13,16H,4-8,10,12H2,1-3H3,(H,21,22)/t19-,23+;18-,22+;3*19-,22+;16-/m000000/s1 |
| InChIKey | JBDGXSCKTPQWHW-VSPFMPRESA-N |
| XLogP | 17.95 |
| TPSA | 402.47 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 173 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2414.16 |
| LogP ≤ 5 | 17.95 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one (CID 158865171) is N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(Cl)cc2)N3)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2ccc(F)cc2)N3)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)C[C@](C)(c2cccc(Cl)c2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC(C)(C)N3)C1.C[C@]1(c2ccc(Cl)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cnc2N1.
What is the InChIKey of N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is JBDGXSCKTPQWHW-VSPFMPRESA-N. The full InChI is InChI=1S/C23H25FN4O2.C22H23ClN4O3.2C22H25ClN4O2.C22H25FN4O2.C20H28N4O2/c1-23(17-4-6-18(24)7-5-17)12-15-11-16(13-25-21(15)26-23)22(30)27-10-8-19(14-27)28-9-2-3-20(28)29;1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17;1-14(28)26(3)19-7-8-27(13-19)21(29)16-9-15-11-22(2,25-20(15)24-12-16)17-5-4-6-18(23)10-17;1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17;1-20(2)10-14-9-15(11-21-17(14)22-20)19(26)24-8-7-16(12-24)23(3)18(25)13-5-4-6-13/h4-7,11,13,19H,2-3,8-10,12,14H2,1H3,(H,25,26);2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25);4-6,9-10,12,19H,7-8,11,13H2,1-3H3,(H,24,25);4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25);9,11,13,16H,4-8,10,12H2,1-3H3,(H,21,22)/t19-,23+;18-,22+;3*19-,22+;16-/m000000/s1.
What are the key properties of N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 2414.16 g/mol, XLogP of 17.95, 18 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 158865171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158865171 — identifiers, structure, computed properties (public domain)
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