2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H22ClF3N6O2 — CID 24772792

IUPAC2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)Nc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C29H22ClF3N6O2/c1-16(23-9-5-6-14-34-23)36-28(41)24-26(37-17(2)40)38-39-25(18-10-12-19(13-11-18)29(31,32)33)21(15-35-27(24)39)20-7-3-4-8-22(20)30/h3-16H,1-2H3,(H,36,41)(H,37,38,40)
InChIKeyZXJIIIRYPAJBHV-UHFFFAOYSA-N
MW578.98 g/mol
LogP6.58
Rot. Bonds6

About 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24772792) has the molecular formula C29H22ClF3N6O2 and a molecular weight of 578.98 g/mol. Its IUPAC name is 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24772792
Molecular FormulaC29H22ClF3N6O2
Molecular Weight578.98 g/mol
Exact Mass578.14
IUPAC Name2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)Nc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C29H22ClF3N6O2/c1-16(23-9-5-6-14-34-23)36-28(41)24-26(37-17(2)40)38-39-25(18-10-12-19(13-11-18)29(31,32)33)21(15-35-27(24)39)20-7-3-4-8-22(20)30/h3-16H,1-2H3,(H,36,41)(H,37,38,40)
InChIKeyZXJIIIRYPAJBHV-UHFFFAOYSA-N
XLogP6.58
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.98
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]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 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24772792) is 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)Nc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)NC(C)c1ccccn1.
What is the InChIKey of 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZXJIIIRYPAJBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClF3N6O2/c1-16(23-9-5-6-14-34-23)36-28(41)24-26(37-17(2)40)38-39-25(18-10-12-19(13-11-18)29(31,32)33)21(15-35-27(24)39)20-7-3-4-8-22(20)30/h3-16H,1-2H3,(H,36,41)(H,37,38,40).
What are the key properties of 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 578.98 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24772792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).