N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H32N8O3S — CID 170635872

About N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170635872) has the molecular formula C27H32N8O3S and a molecular weight of 548.67 g/mol. Its IUPAC name is N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 170635872
• Molecular Formula: C27H32N8O3S
• Molecular Weight: 548.67 g/mol
• Exact Mass: 548.23
• IUPAC Name: N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: COc1nn(C)cc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC45CCC5)cnc3C)c2s1
• InChI: InChI=1S/C27H32N8O3S/c1-17-21(12-18(13-29-17)23(36)28-9-11-34-10-5-8-27(34)6-4-7-27)31-24(37)19-14-30-35-16-22(39-26(19)35)20-15-33(2)32-25(20)38-3/h12-16H,4-11H2,1-3H3,(H,28,36)(H,31,37)
• InChIKey: ISZAJTPMSIQIAX-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.67
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170635872) is N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1nn(C)cc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC45CCC5)cnc3C)c2s1.

What is the InChIKey of N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is ISZAJTPMSIQIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3S/c1-17-21(12-18(13-29-17)23(36)28-9-11-34-10-5-8-27(34)6-4-7-27)31-24(37)19-14-30-35-16-22(39-26(19)35)20-15-33(2)32-25(20)38-3/h12-16H,4-11H2,1-3H3,(H,28,36)(H,31,37).

What are the key properties of N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 548.67 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170635872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).