4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

C23H16F2N6O2S2 — CID 19416777

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

4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416777) has the molecular formula C23H16F2N6O2S2 and a molecular weight of 510.55 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19416777
• Molecular Formula: C23H16F2N6O2S2
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.07
• IUPAC Name: 4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12
• InChI: InChI=1S/C23H16F2N6O2S2/c24-19(25)13-8-11(10-3-4-10)16-17(18(20(26)32)35-23(16)29-13)30-22(33)12-9-28-31-14(5-6-27-21(12)31)15-2-1-7-34-15/h1-2,5-10,19H,3-4H2,(H2,26,32)(H,30,33)
• InChIKey: UGYNKNIIYGLGST-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 115.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19416777) is 4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12.

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

The InChIKey is UGYNKNIIYGLGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O2S2/c24-19(25)13-8-11(10-3-4-10)16-17(18(20(26)32)35-23(16)29-13)30-22(33)12-9-28-31-14(5-6-27-21(12)31)15-2-1-7-34-15/h1-2,5-10,19H,3-4H2,(H2,26,32)(H,30,33).

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

4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).