N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H32N6O3S — CID 164547209

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547209) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547209
• Molecular Formula: C25H32N6O3S
• Molecular Weight: 496.64 g/mol
• Exact Mass: 496.23
• IUPAC Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: COC/C=C/c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4(C)C)cnc3C)c2s1
• InChI: InChI=1S/C25H32N6O3S/c1-17-21(13-18(14-27-17)22(32)26-9-11-30-10-6-8-25(30,2)3)29-23(33)20-15-28-31-16-19(35-24(20)31)7-5-12-34-4/h5,7,13-16H,6,8-12H2,1-4H3,(H,26,32)(H,29,33)/b7-5+
• InChIKey: CJZSRVBDXZIDOQ-FNORWQNLSA-N
• XLogP: 3.62
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.64
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547209) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COC/C=C/c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4(C)C)cnc3C)c2s1.

What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is CJZSRVBDXZIDOQ-FNORWQNLSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-17-21(13-18(14-27-17)22(32)26-9-11-30-10-6-8-25(30,2)3)29-23(33)20-15-28-31-16-19(35-24(20)31)7-5-12-34-4/h5,7,13-16H,6,8-12H2,1-4H3,(H,26,32)(H,29,33)/b7-5+.

What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 496.64 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).