2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C23H24F2N8O2S — CID 164547211

About 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547211) has the molecular formula C23H24F2N8O2S and a molecular weight of 514.56 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547211
• Molecular Formula: C23H24F2N8O2S
• Molecular Weight: 514.56 g/mol
• Exact Mass: 514.17
• IUPAC Name: 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12
• InChI: InChI=1S/C23H24F2N8O2S/c1-13-17(4-15(6-26-13)29-19(34)10-31-11-23(2,3)12-31)30-20(35)16-7-28-32-9-18(36-21(16)32)14-5-27-33(8-14)22(24)25/h4-9,22H,10-12H2,1-3H3,(H,29,34)(H,30,35)
• InChIKey: KIEXYZWDHFLBMF-UHFFFAOYSA-N
• XLogP: 3.89
• 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	514.56
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547211) is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12.

What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is KIEXYZWDHFLBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2S/c1-13-17(4-15(6-26-13)29-19(34)10-31-11-23(2,3)12-31)30-20(35)16-7-28-32-9-18(36-21(16)32)14-5-27-33(8-14)22(24)25/h4-9,22H,10-12H2,1-3H3,(H,29,34)(H,30,35).

What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).