7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

C29H26FN5O5S — CID 59864469

About 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 59864469) has the molecular formula C29H26FN5O5S and a molecular weight of 575.62 g/mol. Its IUPAC name is 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
• PubChem CID: 59864469
• Molecular Formula: C29H26FN5O5S
• Molecular Weight: 575.62 g/mol
• Exact Mass: 575.16
• IUPAC Name: 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(N)=O)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O
• InChI: InChI=1S/C29H26FN5O5S/c1-16-24(28(38)35(18-7-5-4-6-8-18)34(16)15-29(2,3)39)27(37)33-17-9-10-21(19(30)13-17)40-22-11-12-32-20-14-23(26(31)36)41-25(20)22/h4-14,39H,15H2,1-3H3,(H2,31,36)(H,33,37)
• InChIKey: YWNYGVOVVRSQSS-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 141.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.62
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?

The IUPAC name of 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 59864469) is 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(N)=O)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O.

What is the InChIKey of 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?

The InChIKey is YWNYGVOVVRSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O5S/c1-16-24(28(38)35(18-7-5-4-6-8-18)34(16)15-29(2,3)39)27(37)33-17-9-10-21(19(30)13-17)40-22-11-12-32-20-14-23(26(31)36)41-25(20)22/h4-14,39H,15H2,1-3H3,(H2,31,36)(H,33,37).

What are the key properties of 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?

7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 575.62 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 59864469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).