N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H32N8O3S — CID 164547898

About N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547898) has the molecular formula C27H32N8O3S and a molecular weight of 548.67 g/mol. Its IUPAC name is N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547898
• Molecular Formula: C27H32N8O3S
• Molecular Weight: 548.67 g/mol
• Exact Mass: 548.23
• IUPAC Name: N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(C(=O)NCCN5CC6(CCC6)C5)cnc4C)c3s2)cn1
• InChI: InChI=1S/C27H32N8O3S/c1-18-22(10-19(11-29-18)24(36)28-6-7-33-16-27(17-33)4-3-5-27)32-25(37)21-13-31-35-15-23(39-26(21)35)20-12-30-34(14-20)8-9-38-2/h10-15H,3-9,16-17H2,1-2H3,(H,28,36)(H,32,37)
• InChIKey: CXFJZCSVJLMKAS-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.67
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547898) is N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(C(=O)NCCN5CC6(CCC6)C5)cnc4C)c3s2)cn1.

What is the InChIKey of N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is CXFJZCSVJLMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3S/c1-18-22(10-19(11-29-18)24(36)28-6-7-33-16-27(17-33)4-3-5-27)32-25(37)21-13-31-35-15-23(39-26(21)35)20-12-30-34(14-20)8-9-38-2/h10-15H,3-9,16-17H2,1-2H3,(H,28,36)(H,32,37).

What are the key properties of N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 548.67 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).