N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H24F3N7OS — CID 19453582

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19453582) has the molecular formula C25H24F3N7OS and a molecular weight of 527.58 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19453582
• Molecular Formula: C25H24F3N7OS
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.17
• IUPAC Name: N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCN(CC)CCn1c(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)nc2ccccc21
• InChI: InChI=1S/C25H24F3N7OS/c1-3-33(4-2)11-12-34-19-9-6-5-8-16(19)30-24(34)31-23(36)18-15-22-29-17(20-10-7-13-37-20)14-21(25(26,27)28)35(22)32-18/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,30,31,36)
• InChIKey: PILJCFCKROZWPG-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 80.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19453582) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)CCn1c(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)nc2ccccc21.

What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is PILJCFCKROZWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7OS/c1-3-33(4-2)11-12-34-19-9-6-5-8-16(19)30-24(34)31-23(36)18-15-22-29-17(20-10-7-13-37-20)14-21(25(26,27)28)35(22)32-18/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,30,31,36).

What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 527.58 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19453582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).