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

C26H30F2N8O3S — CID 164547825

About N-[5-[2-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547825) has the molecular formula C26H30F2N8O3S and a molecular weight of 572.64 g/mol. Its IUPAC name is N-[5-[2-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547825
• Molecular Formula: C26H30F2N8O3S
• Molecular Weight: 572.64 g/mol
• Exact Mass: 572.21
• IUPAC Name: N-[5-[2-(4,4-difluoropiperidin-1-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)NCCN5CCC(F)(F)CC5)cnc4C)c3s2)cn1
• InChI: InChI=1S/C26H30F2N8O3S/c1-17-21(11-18(12-30-17)23(37)29-5-8-34-6-3-26(27,28)4-7-34)33-24(38)20-14-32-36-16-22(40-25(20)36)19-13-31-35(15-19)9-10-39-2/h11-16H,3-10H2,1-2H3,(H,29,37)(H,33,38)
• InChIKey: IZCRWLLBTRCHSB-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.64
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547825) is N-[5-[2-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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)NCCN5CCC(F)(F)CC5)cnc4C)c3s2)cn1.

What is the InChIKey of N-[5-[2-(4,4-difluoropiperidin-1-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 IZCRWLLBTRCHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N8O3S/c1-17-21(11-18(12-30-17)23(37)29-5-8-34-6-3-26(27,28)4-7-34)33-24(38)20-14-32-36-16-22(40-25(20)36)19-13-31-35(15-19)9-10-39-2/h11-16H,3-10H2,1-2H3,(H,29,37)(H,33,38).

What are the key properties of N-[5-[2-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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 572.64 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4,4-difluoropiperidin-1-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 164547825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).