(4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide
C150H185N33O10S4 — CID 158211126
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCN1c1cc(C(=O)CC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4ccccc4)nc23)nc(N2CC(OC)C2)c1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC(C)C2)c1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@H]2C(=O)NCCOC)c1.CCNC(=O)[C@@H]1CCN1c1cc(C(=O)CC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1
InChIInChI=1S/C31H39N7O3S.C31H39N7O2S.C30H37N7O2S.C30H36N6O2.C28H34N6OS/c1-5-36(6-2)21(3)9-10-27(39)22-18-25(34-29(19-22)37-14-12-26(37)31(40)32-13-16-41-4)23-20-33-38-15-11-24(35-30(23)38)28-8-7-17-42-28;1-5-14-32-31(40)26-13-15-37(26)29-19-22(27(39)11-10-21(4)36(6-2)7-3)18-25(34-29)23-20-33-38-16-12-24(35-30(23)38)28-9-8-17-41-28;1-5-31-30(39)25-13-14-36(25)28-18-21(26(38)11-10-20(4)35(6-2)7-3)17-24(33-28)22-19-32-37-15-12-23(34-29(22)37)27-9-8-16-40-27;1-5-34(6-2)21(3)12-13-28(37)23-16-27(32-29(17-23)35-19-24(20-35)38-4)25-18-31-36-15-14-26(33-30(25)36)22-10-8-7-9-11-22;1-5-32(6-2)20(4)9-10-25(35)21-14-24(30-27(15-21)33-17-19(3)18-33)22-16-29-34-12-11-23(31-28(22)34)26-8-7-13-36-26/h7-8,11,15,17-21,26H,5-6,9-10,12-14,16H2,1-4H3,(H,32,40);8-9,12,16-21,26H,5-7,10-11,13-15H2,1-4H3,(H,32,40);8-9,12,15-20,25H,5-7,10-11,13-14H2,1-4H3,(H,31,39);7-11,14-18,21,24H,5-6,12-13,19-20H2,1-4H3;7-8,11-16,19-20H,5-6,9-10,17-18H2,1-4H3/t2*21-,26-;20-,25-;21-;20-/m00000/s1
InChIKeyGCCAPIXJMOCOSY-MTDDBQFTSA-N
MW2738.62 g/mol
LogP25.46
Rot. Bonds60
About (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide
(4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide (PubChem CID 158211126) has the molecular formula C150H185N33O10S4 and a molecular weight of 2738.62 g/mol. Its IUPAC name is (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide.
Molecular Properties
| Compound Name | (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide |
|---|---|
| PubChem CID | 158211126 |
| Molecular Formula | C150H185N33O10S4 |
| Molecular Weight | 2738.62 g/mol |
| Exact Mass | 2736.39 |
| IUPAC Name | (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide |
| SMILES | CCCNC(=O)[C@@H]1CCN1c1cc(C(=O)CC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4ccccc4)nc23)nc(N2CC(OC)C2)c1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC(C)C2)c1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@H]2C(=O)NCCOC)c1.CCNC(=O)[C@@H]1CCN1c1cc(C(=O)CC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1 |
| InChI | InChI=1S/C31H39N7O3S.C31H39N7O2S.C30H37N7O2S.C30H36N6O2.C28H34N6OS/c1-5-36(6-2)21(3)9-10-27(39)22-18-25(34-29(19-22)37-14-12-26(37)31(40)32-13-16-41-4)23-20-33-38-15-11-24(35-30(23)38)28-8-7-17-42-28;1-5-14-32-31(40)26-13-15-37(26)29-19-22(27(39)11-10-21(4)36(6-2)7-3)18-25(34-29)23-20-33-38-16-12-24(35-30(23)38)28-9-8-17-41-28;1-5-31-30(39)25-13-14-36(25)28-18-21(26(38)11-10-20(4)35(6-2)7-3)17-24(33-28)22-19-32-37-15-12-23(34-29(22)37)27-9-8-16-40-27;1-5-34(6-2)21(3)12-13-28(37)23-16-27(32-29(17-23)35-19-24(20-35)38-4)25-18-31-36-15-14-26(33-30(25)36)22-10-8-7-9-11-22;1-5-32(6-2)20(4)9-10-25(35)21-14-24(30-27(15-21)33-17-19(3)18-33)22-16-29-34-12-11-23(31-28(22)34)26-8-7-13-36-26/h7-8,11,15,17-21,26H,5-6,9-10,12-14,16H2,1-4H3,(H,32,40);8-9,12,16-21,26H,5-7,10-11,13-15H2,1-4H3,(H,32,40);8-9,12,15-20,25H,5-7,10-11,13-14H2,1-4H3,(H,31,39);7-11,14-18,21,24H,5-6,12-13,19-20H2,1-4H3;7-8,11-16,19-20H,5-6,9-10,17-18H2,1-4H3/t2*21-,26-;20-,25-;21-;20-/m00000/s1 |
| InChIKey | GCCAPIXJMOCOSY-MTDDBQFTSA-N |
| XLogP | 25.46 |
| TPSA | 438.91 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2738.62 |
| LogP ≤ 5 | 25.46 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 44 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide?
The IUPAC name of (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide (CID 158211126) is (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide.
What is the SMILES notation for (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide?
The canonical SMILES for (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide is CCCNC(=O)[C@@H]1CCN1c1cc(C(=O)CC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4ccccc4)nc23)nc(N2CC(OC)C2)c1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC(C)C2)c1.CCN(CC)[C@@H](C)CCC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@H]2C(=O)NCCOC)c1.CCNC(=O)[C@@H]1CCN1c1cc(C(=O)CC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1.
What is the InChIKey of (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide?
The InChIKey is GCCAPIXJMOCOSY-MTDDBQFTSA-N. The full InChI is InChI=1S/C31H39N7O3S.C31H39N7O2S.C30H37N7O2S.C30H36N6O2.C28H34N6OS/c1-5-36(6-2)21(3)9-10-27(39)22-18-25(34-29(19-22)37-14-12-26(37)31(40)32-13-16-41-4)23-20-33-38-15-11-24(35-30(23)38)28-8-7-17-42-28;1-5-14-32-31(40)26-13-15-37(26)29-19-22(27(39)11-10-21(4)36(6-2)7-3)18-25(34-29)23-20-33-38-16-12-24(35-30(23)38)28-9-8-17-41-28;1-5-31-30(39)25-13-14-36(25)28-18-21(26(38)11-10-20(4)35(6-2)7-3)17-24(33-28)22-19-32-37-15-12-23(34-29(22)37)27-9-8-16-40-27;1-5-34(6-2)21(3)12-13-28(37)23-16-27(32-29(17-23)35-19-24(20-35)38-4)25-18-31-36-15-14-26(33-30(25)36)22-10-8-7-9-11-22;1-5-32(6-2)20(4)9-10-25(35)21-14-24(30-27(15-21)33-17-19(3)18-33)22-16-29-34-12-11-23(31-28(22)34)26-8-7-13-36-26/h7-8,11,15,17-21,26H,5-6,9-10,12-14,16H2,1-4H3,(H,32,40);8-9,12,16-21,26H,5-7,10-11,13-15H2,1-4H3,(H,32,40);8-9,12,15-20,25H,5-7,10-11,13-14H2,1-4H3,(H,31,39);7-11,14-18,21,24H,5-6,12-13,19-20H2,1-4H3;7-8,11-16,19-20H,5-6,9-10,17-18H2,1-4H3/t2*21-,26-;20-,25-;21-;20-/m00000/s1.
What are the key properties of (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide?
(4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide has a molecular weight of 2738.62 g/mol, XLogP of 25.46, 60 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(diethylamino)-1-[2-(3-methoxyazetidin-1-yl)-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(4S)-4-(diethylamino)-1-[2-(3-methylazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-ethylazetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-(2-methoxyethyl)azetidine-2-carboxamide;(2S)-1-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-N-propylazetidine-2-carboxamide is sourced from PubChem (CID 158211126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158211126 — identifiers, structure, computed properties (public domain)
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