N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H28N8O2S — CID 170636057

About N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170636057) has the molecular formula C25H28N8O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 170636057
• Molecular Formula: C25H28N8O2S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CC3CC3C2)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C)sc12
• InChI: InChI=1S/C25H28N8O2S/c1-14-20(12-31(3)30-14)22-13-33-25(36-22)19(9-28-33)24(35)29-21-7-16(8-27-15(21)2)23(34)26-4-5-32-10-17-6-18(17)11-32/h7-9,12-13,17-18H,4-6,10-11H2,1-3H3,(H,26,34)(H,29,35)
• InChIKey: SCULYGIXFIATCS-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170636057) is N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CC3CC3C2)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C)sc12.

What is the InChIKey of N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is SCULYGIXFIATCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S/c1-14-20(12-31(3)30-14)22-13-33-25(36-22)19(9-28-33)24(35)29-21-7-16(8-27-15(21)2)23(34)26-4-5-32-10-17-6-18(17)11-32/h7-9,12-13,17-18H,4-6,10-11H2,1-3H3,(H,26,34)(H,29,35).

What are the key properties of N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 504.62 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170636057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).