3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C25H22F5N5O2S2 — CID 19540145

About 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19540145) has the molecular formula C25H22F5N5O2S2 and a molecular weight of 583.61 g/mol. Its IUPAC name is 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19540145
• Molecular Formula: C25H22F5N5O2S2
• Molecular Weight: 583.61 g/mol
• Exact Mass: 583.11
• IUPAC Name: 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)C(C)Cn4nc(C(F)(F)F)cc4C4CC4)c23)s1
• InChI: InChI=1S/C25H22F5N5O2S2/c1-10(9-35-15(12-4-5-12)8-17(34-35)25(28,29)30)23(37)33-19-18-13(16-6-3-11(2)38-16)7-14(21(26)27)32-24(18)39-20(19)22(31)36/h3,6-8,10,12,21H,4-5,9H2,1-2H3,(H2,31,36)(H,33,37)
• InChIKey: RCQINHKNIVDBJB-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 102.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.61
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19540145) is 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)C(C)Cn4nc(C(F)(F)F)cc4C4CC4)c23)s1.

What is the InChIKey of 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is RCQINHKNIVDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F5N5O2S2/c1-10(9-35-15(12-4-5-12)8-17(34-35)25(28,29)30)23(37)33-19-18-13(16-6-3-11(2)38-16)7-14(21(26)27)32-24(18)39-20(19)22(31)36/h3,6-8,10,12,21H,4-5,9H2,1-2H3,(H2,31,36)(H,33,37).

What are the key properties of 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 583.61 g/mol, XLogP of 6.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).