N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C26H33N7O2S — CID 164547834

About N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164547834) has the molecular formula C26H33N7O2S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• PubChem CID: 164547834
• Molecular Formula: C26H33N7O2S
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.24
• IUPAC Name: N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• SMILES: CCc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)c2s1.[H][H].[H][H]
• InChI: InChI=1S/C26H29N7O2S.2H2/c1-5-20-18(7-6-8-27-20)22-12-33-25(36-22)19(11-29-33)24(35)31-21-9-17(10-28-16(21)2)30-23(34)13-32-14-26(3,4)15-32;;/h6-12H,5,13-15H2,1-4H3,(H,30,34)(H,31,35);2*1H
• InChIKey: UPXUSQKATWPKQT-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547834) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

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

The canonical SMILES for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is CCc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)c2s1.[H][H].[H][H].

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

The InChIKey is UPXUSQKATWPKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S.2H2/c1-5-20-18(7-6-8-27-20)22-12-33-25(36-22)19(11-29-33)24(35)31-21-9-17(10-28-16(21)2)30-23(34)13-32-14-26(3,4)15-32;;/h6-12H,5,13-15H2,1-4H3,(H,30,34)(H,31,35);2*1H.

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

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 507.66 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164547834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).