4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C25H22F2N8O2S — CID 19414346

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

4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19414346) has the molecular formula C25H22F2N8O2S and a molecular weight of 536.57 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19414346
• Molecular Formula: C25H22F2N8O2S
• Molecular Weight: 536.57 g/mol
• Exact Mass: 536.16
• IUPAC Name: 4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCn1ncc(-c2ccnc3cc(C(=O)Nc4c(C(N)=O)sc5nc(C(F)F)cc(C6CC6)c45)nn23)c1C
• InChI: InChI=1S/C25H22F2N8O2S/c1-3-34-11(2)14(10-30-34)17-6-7-29-18-9-16(33-35(17)18)24(37)32-20-19-13(12-4-5-12)8-15(22(26)27)31-25(19)38-21(20)23(28)36/h6-10,12,22H,3-5H2,1-2H3,(H2,28,36)(H,32,37)
• InChIKey: LIUCQCWQHUJZRS-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 133.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.57
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19414346) is 4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is CCn1ncc(-c2ccnc3cc(C(=O)Nc4c(C(N)=O)sc5nc(C(F)F)cc(C6CC6)c45)nn23)c1C.

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

The InChIKey is LIUCQCWQHUJZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O2S/c1-3-34-11(2)14(10-30-34)17-6-7-29-18-9-16(33-35(17)18)24(37)32-20-19-13(12-4-5-12)8-15(22(26)27)31-25(19)38-21(20)23(28)36/h6-10,12,22H,3-5H2,1-2H3,(H2,28,36)(H,32,37).

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

4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 536.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19414346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).