6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide

C21H21F2N7O2S — CID 19559783

About 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19559783) has the molecular formula C21H21F2N7O2S and a molecular weight of 473.51 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19559783
• Molecular Formula: C21H21F2N7O2S
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.14
• IUPAC Name: 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cnn(CCC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4cn(C)nc4C)c23)c1
• InChI: InChI=1S/C21H21F2N7O2S/c1-10-7-25-30(8-10)5-4-15(31)27-17-16-12(13-9-29(3)28-11(13)2)6-14(19(22)23)26-21(16)33-18(17)20(24)32/h6-9,19H,4-5H2,1-3H3,(H2,24,32)(H,27,31)
• InChIKey: JRBSZMOQYDXZSR-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide (CID 19559783) is 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide is Cc1cnn(CCC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4cn(C)nc4C)c23)c1.

What is the InChIKey of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JRBSZMOQYDXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O2S/c1-10-7-25-30(8-10)5-4-15(31)27-17-16-12(13-9-29(3)28-11(13)2)6-14(19(22)23)26-21(16)33-18(17)20(24)32/h6-9,19H,4-5H2,1-3H3,(H2,24,32)(H,27,31).

What are the key properties of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19559783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).