tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen

C23H28N6O4S — CID 164548246

About tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen

tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen (PubChem CID 164548246) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen
• PubChem CID: 164548246
• Molecular Formula: C23H28N6O4S
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.19
• IUPAC Name: tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen
• SMILES: COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)cnc3C)c2s1.[H][H].[H][H]
• InChI: InChI=1S/C23H24N6O4S.2H2/c1-13-17(9-14(10-25-13)27-22(31)33-23(2,3)4)28-19(30)16-11-26-29-12-18(34-21(16)29)15-7-6-8-24-20(15)32-5;;/h6-12H,1-5H3,(H,27,31)(H,28,30);2*1H
• InChIKey: SBRDOKCORXNWQG-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen?

The IUPAC name of tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen (CID 164548246) is tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen.

What is the SMILES notation for tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen?

The canonical SMILES for tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)cnc3C)c2s1.[H][H].[H][H].

What is the InChIKey of tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen?

The InChIKey is SBRDOKCORXNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S.2H2/c1-13-17(9-14(10-25-13)27-22(31)33-23(2,3)4)28-19(30)16-11-26-29-12-18(34-21(16)29)15-7-6-8-24-20(15)32-5;;/h6-12H,1-5H3,(H,27,31)(H,28,30);2*1H.

What are the key properties of tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen?

tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen has a molecular weight of 484.58 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[[2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methyl-3-pyridinyl]carbamate;molecular hydrogen is sourced from PubChem (CID 164548246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).