(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

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).