7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20F2N4O4 — CID 4189580

IUPAC7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OC)ccc4OC)c3n2)cc1
InChIInChI=1S/C23H20F2N4O4/c1-31-14-6-4-13(5-7-14)17-11-19(21(24)25)29-22(27-17)16(12-26-29)23(30)28-18-10-15(32-2)8-9-20(18)33-3/h4-12,21H,1-3H3,(H,28,30)
InChIKeyMUQNIPVGEJXTBX-UHFFFAOYSA-N
MW454.43 g/mol
LogP4.61
Rot. Bonds7

About 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4189580) has the molecular formula C23H20F2N4O4 and a molecular weight of 454.43 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4189580
Molecular FormulaC23H20F2N4O4
Molecular Weight454.43 g/mol
Exact Mass454.15
IUPAC Name7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OC)ccc4OC)c3n2)cc1
InChIInChI=1S/C23H20F2N4O4/c1-31-14-6-4-13(5-7-14)17-11-19(21(24)25)29-22(27-17)16(12-26-29)23(30)28-18-10-15(32-2)8-9-20(18)33-3/h4-12,21H,1-3H3,(H,28,30)
InChIKeyMUQNIPVGEJXTBX-UHFFFAOYSA-N
XLogP4.61
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4189580) is 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OC)ccc4OC)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MUQNIPVGEJXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O4/c1-31-14-6-4-13(5-7-14)17-11-19(21(24)25)29-22(27-17)16(12-26-29)23(30)28-18-10-15(32-2)8-9-20(18)33-3/h4-12,21H,1-3H3,(H,28,30).
What are the key properties of 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4189580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).