6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C22H17F2N7O2S2 — CID 19264752

About 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19264752) has the molecular formula C22H17F2N7O2S2 and a molecular weight of 513.56 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19264752
• Molecular Formula: C22H17F2N7O2S2
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.09
• IUPAC Name: 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(Cn5cccn5)n4)c23)s1
• InChI: InChI=1S/C22H17F2N7O2S2/c1-11-3-4-15(34-11)12-9-14(19(23)24)27-22-16(12)17(18(35-22)20(25)32)28-21(33)13-5-8-31(29-13)10-30-7-2-6-26-30/h2-9,19H,10H2,1H3,(H2,25,32)(H,28,33)
• InChIKey: XGCOFTHORJRHIG-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19264752) is 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(Cn5cccn5)n4)c23)s1.

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

The InChIKey is XGCOFTHORJRHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O2S2/c1-11-3-4-15(34-11)12-9-14(19(23)24)27-22-16(12)17(18(35-22)20(25)32)28-21(33)13-5-8-31(29-13)10-30-7-2-6-26-30/h2-9,19H,10H2,1H3,(H2,25,32)(H,28,33).

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

6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 513.56 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19264752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).