4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C24H20F3N7O3S — CID 19463201

About 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19463201) has the molecular formula C24H20F3N7O3S and a molecular weight of 543.53 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19463201
• Molecular Formula: C24H20F3N7O3S
• Molecular Weight: 543.53 g/mol
• Exact Mass: 543.13
• IUPAC Name: 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(Cn5cccn5)o4)c23)c(C)n1
• InChI: InChI=1S/C24H20F3N7O3S/c1-3-33-11-15(12(2)32-33)14-9-17(24(25,26)27)30-23-18(14)19(20(38-23)21(28)35)31-22(36)16-6-5-13(37-16)10-34-8-4-7-29-34/h4-9,11H,3,10H2,1-2H3,(H2,28,35)(H,31,36)
• InChIKey: FEHSZNJGGTXQDP-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 133.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.53
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19463201) is 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(Cn5cccn5)o4)c23)c(C)n1.

What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is FEHSZNJGGTXQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O3S/c1-3-33-11-15(12(2)32-33)14-9-17(24(25,26)27)30-23-18(14)19(20(38-23)21(28)35)31-22(36)16-6-5-13(37-16)10-34-8-4-7-29-34/h4-9,11H,3,10H2,1-2H3,(H2,28,35)(H,31,36).

What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 543.53 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19463201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).