4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C25H19F4N7O3S — CID 19269502

About 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19269502) has the molecular formula C25H19F4N7O3S and a molecular weight of 573.53 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19269502
• Molecular Formula: C25H19F4N7O3S
• Molecular Weight: 573.53 g/mol
• Exact Mass: 573.12
• IUPAC Name: 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5ccc(F)cc5)n4)c23)cnn1C
• InChI: InChI=1S/C25H19F4N7O3S/c1-12-16(10-31-35(12)2)15-9-18(25(27,28)29)32-24-19(15)20(21(40-24)22(30)37)33-23(38)17-7-8-36(34-17)11-39-14-5-3-13(26)4-6-14/h3-10H,11H2,1-2H3,(H2,30,37)(H,33,38)
• InChIKey: ARLNAGOFFPGWKT-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 129.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.53
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19269502) is 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5ccc(F)cc5)n4)c23)cnn1C.

What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ARLNAGOFFPGWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N7O3S/c1-12-16(10-31-35(12)2)15-9-18(25(27,28)29)32-24-19(15)20(21(40-24)22(30)37)33-23(38)17-7-8-36(34-17)11-39-14-5-3-13(26)4-6-14/h3-10H,11H2,1-2H3,(H2,30,37)(H,33,38).

What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 573.53 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,5-dimethylpyrazol-4-yl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19269502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).