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

C25H19F4N7O3S — CID 19280129

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

6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19280129) has the molecular formula C25H19F4N7O3S and a molecular weight of 573.53 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19280129
• Molecular Formula: C25H19F4N7O3S
• Molecular Weight: 573.53 g/mol
• Exact Mass: 573.12
• IUPAC Name: 6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5ccc(F)cc5F)n4)c23)cnn1C
• InChI: InChI=1S/C25H19F4N7O3S/c1-11-14(9-31-35(11)2)13-8-17(22(28)29)32-25-19(13)20(21(40-25)23(30)37)33-24(38)16-5-6-36(34-16)10-39-18-4-3-12(26)7-15(18)27/h3-9,22H,10H2,1-2H3,(H2,30,37)(H,33,38)
• InChIKey: CQEBPFWTAHNTJC-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 129.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.53
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19280129) is 6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5ccc(F)cc5F)n4)c23)cnn1C.

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

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

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

6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 573.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19280129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).