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

C21H19F2N5O3S — CID 19466134

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

6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19466134) has the molecular formula C21H19F2N5O3S and a molecular weight of 459.48 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19466134
• Molecular Formula: C21H19F2N5O3S
• Molecular Weight: 459.48 g/mol
• Exact Mass: 459.12
• IUPAC Name: 6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)o2)n1
• InChI: InChI=1S/C21H19F2N5O3S/c1-9-6-13(18(22)23)25-21-15(9)16(17(32-21)19(24)29)26-20(30)14-5-4-12(31-14)8-28-11(3)7-10(2)27-28/h4-7,18H,8H2,1-3H3,(H2,24,29)(H,26,30)
• InChIKey: HXWXBEUCYSBHGB-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 116.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.48
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 19466134) is 6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)o2)n1.

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

The InChIKey is HXWXBEUCYSBHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3S/c1-9-6-13(18(22)23)25-21-15(9)16(17(32-21)19(24)29)26-20(30)14-5-4-12(31-14)8-28-11(3)7-10(2)27-28/h4-7,18H,8H2,1-3H3,(H2,24,29)(H,26,30).

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

6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19466134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).