N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C38H36F3N9O2 — CID 166344243

IUPACN-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(Cc5ccccc5C(=O)N5C(C)CN(c6ccc(C(F)(F)F)cc6)CC5C)nn4)cc3)c2n1
InChIInChI=1S/C38H36F3N9O2/c1-23-17-24(2)50-35(43-23)33(18-42-50)36(51)44-30-13-9-27(10-14-30)34-22-48(46-45-34)21-28-7-5-6-8-32(28)37(52)49-25(3)19-47(20-26(49)4)31-15-11-29(12-16-31)38(39,40)41/h5-18,22,25-26H,19-21H2,1-4H3,(H,44,51)
InChIKeyVSXHDLDCMFYHED-UHFFFAOYSA-N
MW707.76 g/mol
LogP6.66
Rot. Bonds7

About N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166344243) has the molecular formula C38H36F3N9O2 and a molecular weight of 707.76 g/mol. Its IUPAC name is N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166344243
Molecular FormulaC38H36F3N9O2
Molecular Weight707.76 g/mol
Exact Mass707.29
IUPAC NameN-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(Cc5ccccc5C(=O)N5C(C)CN(c6ccc(C(F)(F)F)cc6)CC5C)nn4)cc3)c2n1
InChIInChI=1S/C38H36F3N9O2/c1-23-17-24(2)50-35(43-23)33(18-42-50)36(51)44-30-13-9-27(10-14-30)34-22-48(46-45-34)21-28-7-5-6-8-32(28)37(52)49-25(3)19-47(20-26(49)4)31-15-11-29(12-16-31)38(39,40)41/h5-18,22,25-26H,19-21H2,1-4H3,(H,44,51)
InChIKeyVSXHDLDCMFYHED-UHFFFAOYSA-N
XLogP6.66
TPSA113.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.76
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[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

Related Compounds

5,7-dimethyl-N-[4-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155968417
5,7-dimethyl-N-[4-[1-[[3-[2-propyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]triazol-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166354711
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-[4-[1-[[4-[2-(5-bromo-2-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166354331
N-[4-[1-[[1-(2-benzyl-5-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindole-4-carbonyl)-3,3-difluoropiperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167867442
N-[4-[1-[1-[1-(2-chlorophenyl)-5-(difluoromethyl)-3-methylpyrazole-4-carbonyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167846428
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19397809
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
N-(1-benzylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19397593
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3123077

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166344243) is N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(Cc5ccccc5C(=O)N5C(C)CN(c6ccc(C(F)(F)F)cc6)CC5C)nn4)cc3)c2n1.
What is the InChIKey of N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VSXHDLDCMFYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36F3N9O2/c1-23-17-24(2)50-35(43-23)33(18-42-50)36(51)44-30-13-9-27(10-14-30)34-22-48(46-45-34)21-28-7-5-6-8-32(28)37(52)49-25(3)19-47(20-26(49)4)31-15-11-29(12-16-31)38(39,40)41/h5-18,22,25-26H,19-21H2,1-4H3,(H,44,51).
What are the key properties of N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 707.76 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-[2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166344243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).