7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
C119H129IN31O13- — CID 159433106
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CN1C[C@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)CC1=O.CNc1cc(-c2cn([C@@H]3CC(=O)N(C)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1C[I-]N
InChIInChI=1S/C32H34N8O3.C29H29N7O3.C27H25N7O3.C25H28N8O3.C6H13INO/c1-37(17-20-8-5-4-6-9-20)28-15-26(35-31-23(16-34-40(28)31)32(42)36-25-11-12-27(25)43-3)24-19-39(21-14-29(41)38(2)18-21)30-22(24)10-7-13-33-30;1-4-39-29(38)22-15-31-36-25(33(2)16-19-9-6-5-7-10-19)14-24(32-28(22)36)23-18-35(20-13-26(37)34(3)17-20)27-21(23)11-8-12-30-27;1-31(14-17-7-4-3-5-8-17)23-12-22(30-26-20(27(36)37)13-29-34(23)26)21-16-33(18-11-24(35)32(2)15-18)25-19(21)9-6-10-28-25;1-26-21-10-19(29-24-16(11-28-33(21)24)25(35)30-18-6-7-20(18)36-3)17-13-32(14-9-22(34)31(2)12-14)23-15(17)5-4-8-27-23;1-9-6-3-2-5(6)4-7-8/h4-10,13,15-16,19,21,25,27H,11-12,14,17-18H2,1-3H3,(H,36,42);5-12,14-15,18,20H,4,13,16-17H2,1-3H3;3-10,12-13,16,18H,11,14-15H2,1-2H3,(H,36,37);4-5,8,10-11,13-14,18,20,26H,6-7,9,12H2,1-3H3,(H,30,35);5-6H,2-4,8H2,1H3/q;;;;-1/t21-,25?,27+;20-;18-;14-,18?,20+;5-,6+/m11111/s1
InChIKeyKZXGBSYBPISXEG-LXFOXACKSA-N
MW2328.45 g/mol
LogP10.61
Rot. Bonds30
About 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159433106) has the molecular formula C119H129IN31O13- and a molecular weight of 2328.45 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Molecular Properties
| Compound Name | 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
|---|---|
| PubChem CID | 159433106 |
| Molecular Formula | C119H129IN31O13- |
| Molecular Weight | 2328.45 g/mol |
| Exact Mass | 2326.94 |
| IUPAC Name | 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| SMILES | CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CN1C[C@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)CC1=O.CNc1cc(-c2cn([C@@H]3CC(=O)N(C)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1C[I-]N |
| InChI | InChI=1S/C32H34N8O3.C29H29N7O3.C27H25N7O3.C25H28N8O3.C6H13INO/c1-37(17-20-8-5-4-6-9-20)28-15-26(35-31-23(16-34-40(28)31)32(42)36-25-11-12-27(25)43-3)24-19-39(21-14-29(41)38(2)18-21)30-22(24)10-7-13-33-30;1-4-39-29(38)22-15-31-36-25(33(2)16-19-9-6-5-7-10-19)14-24(32-28(22)36)23-18-35(20-13-26(37)34(3)17-20)27-21(23)11-8-12-30-27;1-31(14-17-7-4-3-5-8-17)23-12-22(30-26-20(27(36)37)13-29-34(23)26)21-16-33(18-11-24(35)32(2)15-18)25-19(21)9-6-10-28-25;1-26-21-10-19(29-24-16(11-28-33(21)24)25(35)30-18-6-7-20(18)36-3)17-13-32(14-9-22(34)31(2)12-14)23-15(17)5-4-8-27-23;1-9-6-3-2-5(6)4-7-8/h4-10,13,15-16,19,21,25,27H,11-12,14,17-18H2,1-3H3,(H,36,42);5-12,14-15,18,20H,4,13,16-17H2,1-3H3;3-10,12-13,16,18H,11,14-15H2,1-2H3,(H,36,37);4-5,8,10-11,13-14,18,20,26H,6-7,9,12H2,1-3H3,(H,30,35);5-6H,2-4,8H2,1H3/q;;;;-1/t21-,25?,27+;20-;18-;14-,18?,20+;5-,6+/m11111/s1 |
| InChIKey | KZXGBSYBPISXEG-LXFOXACKSA-N |
| XLogP | 10.61 |
| TPSA | 470.54 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 164 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2328.45 |
| LogP ≤ 5 | 10.61 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 37 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159433106) is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CN1C[C@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)CC1=O.CNc1cc(-c2cn([C@@H]3CC(=O)N(C)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1C[I-]N.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KZXGBSYBPISXEG-LXFOXACKSA-N. The full InChI is InChI=1S/C32H34N8O3.C29H29N7O3.C27H25N7O3.C25H28N8O3.C6H13INO/c1-37(17-20-8-5-4-6-9-20)28-15-26(35-31-23(16-34-40(28)31)32(42)36-25-11-12-27(25)43-3)24-19-39(21-14-29(41)38(2)18-21)30-22(24)10-7-13-33-30;1-4-39-29(38)22-15-31-36-25(33(2)16-19-9-6-5-7-10-19)14-24(32-28(22)36)23-18-35(20-13-26(37)34(3)17-20)27-21(23)11-8-12-30-27;1-31(14-17-7-4-3-5-8-17)23-12-22(30-26-20(27(36)37)13-29-34(23)26)21-16-33(18-11-24(35)32(2)15-18)25-19(21)9-6-10-28-25;1-26-21-10-19(29-24-16(11-28-33(21)24)25(35)30-18-6-7-20(18)36-3)17-13-32(14-9-22(34)31(2)12-14)23-15(17)5-4-8-27-23;1-9-6-3-2-5(6)4-7-8/h4-10,13,15-16,19,21,25,27H,11-12,14,17-18H2,1-3H3,(H,36,42);5-12,14-15,18,20H,4,13,16-17H2,1-3H3;3-10,12-13,16,18H,11,14-15H2,1-2H3,(H,36,37);4-5,8,10-11,13-14,18,20,26H,6-7,9,12H2,1-3H3,(H,30,35);5-6H,2-4,8H2,1H3/q;;;;-1/t21-,25?,27+;20-;18-;14-,18?,20+;5-,6+/m11111/s1.
What are the key properties of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2328.45 g/mol, XLogP of 10.61, 30 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159433106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159433106 — identifiers, structure, computed properties (public domain)
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