tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

C109H142N34O10S4 — CID 157123021

About tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine

tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (PubChem CID 157123021) has the molecular formula C109H142N34O10S4 and a molecular weight of 2216.83 g/mol. Its IUPAC name is tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
• PubChem CID: 157123021
• Molecular Formula: C109H142N34O10S4
• Molecular Weight: 2216.83 g/mol
• Exact Mass: 2215.05
• IUPAC Name: tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
• SMILES: Cc1cc(N(C(=O)OC(C)(C)C)c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cn1cc(-c2cnn3c(N(C(=O)OC(C)(C)C)c4cc(C5CCN(C(=O)OC(C)(C)C)CC5)ns4)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cc(C5CCNCC5)ns4)cc(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C38H53N9O6S.C29H38N8O4S.C23H29N9S.C19H22N8S/c1-36(2,3)51-33(48)44-16-13-24(14-17-44)29-19-31(54-42-29)46(35(50)53-38(7,8)9)30-18-28(25-12-11-15-45(23-25)34(49)52-37(4,5)6)41-32-27(21-40-47(30)32)26-20-39-43(10)22-26;1-18-12-24(42-33-18)36(27(39)41-29(5,6)7)23-13-22(19-10-9-11-35(17-19)26(38)40-28(2,3)4)32-25-21(15-31-37(23)25)20-14-30-34(8)16-20;1-31-14-17(12-26-31)18-13-27-32-21(9-19(28-23(18)32)16-3-2-6-25-11-16)29-22-10-20(30-33-22)15-4-7-24-8-5-15;1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h18-22,24-25H,11-17,23H2,1-10H3;12-16,19H,9-11,17H2,1-8H3;9-10,12-16,24-25,29H,2-8,11H2,1H3;6-7,9-11,13,20,24H,3-5,8H2,1-2H3
• InChIKey: AIERPWIJFFUDPZ-UHFFFAOYSA-N
• XLogP: 20.34
• TPSA: 451.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.83
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?

The IUPAC name of tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (CID 157123021) is tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.

What is the SMILES notation for tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?

The canonical SMILES for tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is Cc1cc(N(C(=O)OC(C)(C)C)c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)sn1.Cn1cc(-c2cnn3c(N(C(=O)OC(C)(C)C)c4cc(C5CCN(C(=O)OC(C)(C)C)CC5)ns4)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cc(C5CCNCC5)ns4)cc(C4CCCNC4)nc23)cn1.

What is the InChIKey of tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?

The InChIKey is AIERPWIJFFUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H53N9O6S.C29H38N8O4S.C23H29N9S.C19H22N8S/c1-36(2,3)51-33(48)44-16-13-24(14-17-44)29-19-31(54-42-29)46(35(50)53-38(7,8)9)30-18-28(25-12-11-15-45(23-25)34(49)52-37(4,5)6)41-32-27(21-40-47(30)32)26-20-39-43(10)22-26;1-18-12-24(42-33-18)36(27(39)41-29(5,6)7)23-13-22(19-10-9-11-35(17-19)26(38)40-28(2,3)4)32-25-21(15-31-37(23)25)20-14-30-34(8)16-20;1-31-14-17(12-26-31)18-13-27-32-21(9-19(28-23(18)32)16-3-2-6-25-11-16)29-22-10-20(30-33-22)15-4-7-24-8-5-15;1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h18-22,24-25H,11-17,23H2,1-10H3;12-16,19H,9-11,17H2,1-8H3;9-10,12-16,24-25,29H,2-8,11H2,1H3;6-7,9-11,13,20,24H,3-5,8H2,1-2H3.

What are the key properties of tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?

tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine has a molecular weight of 2216.83 g/mol, XLogP of 20.34, 18 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 157123021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).