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

C23H21F2N5O3S — CID 19276249

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

6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19276249) has the molecular formula C23H21F2N5O3S and a molecular weight of 485.52 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19276249
• Molecular Formula: C23H21F2N5O3S
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.13
• IUPAC Name: 6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C)cc(OCn2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)n2)c1
• InChI: InChI=1S/C23H21F2N5O3S/c1-11-6-12(2)8-14(7-11)33-10-30-5-4-15(29-30)22(32)28-18-17-13(3)9-16(20(24)25)27-23(17)34-19(18)21(26)31/h4-9,20H,10H2,1-3H3,(H2,26,31)(H,28,32)
• InChIKey: VOHRBWWYRIBBTA-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 112.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 19276249) is 6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)cc(OCn2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)n2)c1.

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

The InChIKey is VOHRBWWYRIBBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3S/c1-11-6-12(2)8-14(7-11)33-10-30-5-4-15(29-30)22(32)28-18-17-13(3)9-16(20(24)25)27-23(17)34-19(18)21(26)31/h4-9,20H,10H2,1-3H3,(H2,26,31)(H,28,32).

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

6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19276249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).