2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C25H19F3N6O3S — CID 69191870

IUPAC2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1nn2c(-c3cccc(NC(=O)c4ccc(-c5cc(C(F)(F)F)nn5C)s4)c3)ccnc2c1C(=O)O
InChIInChI=1S/C25H19F3N6O3S/c1-3-15-21(24(36)37)22-29-10-9-16(34(22)31-15)13-5-4-6-14(11-13)30-23(35)19-8-7-18(38-19)17-12-20(25(26,27)28)32-33(17)2/h4-12H,3H2,1-2H3,(H,30,35)(H,36,37)
InChIKeyYRIRCHZARKUMRS-UHFFFAOYSA-N
MW540.53 g/mol
LogP5.39
Rot. Bonds6

About 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 69191870) has the molecular formula C25H19F3N6O3S and a molecular weight of 540.53 g/mol. Its IUPAC name is 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID69191870
Molecular FormulaC25H19F3N6O3S
Molecular Weight540.53 g/mol
Exact Mass540.12
IUPAC Name2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1nn2c(-c3cccc(NC(=O)c4ccc(-c5cc(C(F)(F)F)nn5C)s4)c3)ccnc2c1C(=O)O
InChIInChI=1S/C25H19F3N6O3S/c1-3-15-21(24(36)37)22-29-10-9-16(34(22)31-15)13-5-4-6-14(11-13)30-23(35)19-8-7-18(38-19)17-12-20(25(26,27)28)32-33(17)2/h4-12H,3H2,1-2H3,(H,30,35)(H,36,37)
InChIKeyYRIRCHZARKUMRS-UHFFFAOYSA-N
XLogP5.39
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.53
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid 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 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 69191870) is 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCc1nn2c(-c3cccc(NC(=O)c4ccc(-c5cc(C(F)(F)F)nn5C)s4)c3)ccnc2c1C(=O)O.
What is the InChIKey of 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is YRIRCHZARKUMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O3S/c1-3-15-21(24(36)37)22-29-10-9-16(34(22)31-15)13-5-4-6-14(11-13)30-23(35)19-8-7-18(38-19)17-12-20(25(26,27)28)32-33(17)2/h4-12H,3H2,1-2H3,(H,30,35)(H,36,37).
What are the key properties of 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 540.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 69191870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).