3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C21H15F5N6O2S — CID 19447444

About 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19447444) has the molecular formula C21H15F5N6O2S and a molecular weight of 510.45 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19447444
• Molecular Formula: C21H15F5N6O2S
• Molecular Weight: 510.45 g/mol
• Exact Mass: 510.09
• IUPAC Name: 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)c12
• InChI: InChI=1S/C21H15F5N6O2S/c1-7-4-10(17(22)23)29-20-14(7)15(16(35-20)18(27)33)30-19(34)11-6-13-28-9(8-2-3-8)5-12(21(24,25)26)32(13)31-11/h4-6,8,17H,2-3H2,1H3,(H2,27,33)(H,30,34)
• InChIKey: QNVDUKIKYRYNEU-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 115.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.45
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 19447444) is 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)c12.

What is the InChIKey of 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is QNVDUKIKYRYNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N6O2S/c1-7-4-10(17(22)23)29-20-14(7)15(16(35-20)18(27)33)30-19(34)11-6-13-28-9(8-2-3-8)5-12(21(24,25)26)32(13)31-11/h4-6,8,17H,2-3H2,1H3,(H2,27,33)(H,30,34).

What are the key properties of 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?

3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 510.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19447444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).