N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide

C23H20F3N9O2S — CID 54158998

IUPACN-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nc(NS(=O)(=O)C(F)(F)F)cc2n1
InChIInChI=1S/C23H20F3N9O2S/c1-3-15-12-21(35-20(27-15)13-19(30-35)31-38(36,37)23(24,25)26)34(2)16-10-8-14(9-11-16)17-6-4-5-7-18(17)22-28-32-33-29-22/h4-13H,3H2,1-2H3,(H,30,31)(H,28,29,32,33)
InChIKeyONCGUDHVFSWZAQ-UHFFFAOYSA-N
MW543.54 g/mol
LogP4.17
Rot. Bonds7

About N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide

N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 54158998) has the molecular formula C23H20F3N9O2S and a molecular weight of 543.54 g/mol. Its IUPAC name is N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID54158998
Molecular FormulaC23H20F3N9O2S
Molecular Weight543.54 g/mol
Exact Mass543.14
IUPAC NameN-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nc(NS(=O)(=O)C(F)(F)F)cc2n1
InChIInChI=1S/C23H20F3N9O2S/c1-3-15-12-21(35-20(27-15)13-19(30-35)31-38(36,37)23(24,25)26)34(2)16-10-8-14(9-11-16)17-6-4-5-7-18(17)22-28-32-33-29-22/h4-13H,3H2,1-2H3,(H,30,31)(H,28,29,32,33)
InChIKeyONCGUDHVFSWZAQ-UHFFFAOYSA-N
XLogP4.17
TPSA134.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide 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-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 19975930
N-[5-ethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 19976008
5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CID 23372849
3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 19975783
3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862107
3-chloro-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862650
[6-ethyl-2-methyl-4-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]-3-pyridinyl]-phenylmethanone
CID 54140911
N-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3,5-diethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 54408477
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
CID 57119373
N-[1-(2-chlorophenyl)-3-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 67921200
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxylic acid
CID 151442059
N-[3-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-oxazol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 67869258

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide (CID 54158998) is N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide is CCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nc(NS(=O)(=O)C(F)(F)F)cc2n1.
What is the InChIKey of N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ONCGUDHVFSWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N9O2S/c1-3-15-12-21(35-20(27-15)13-19(30-35)31-38(36,37)23(24,25)26)34(2)16-10-8-14(9-11-16)17-6-4-5-7-18(17)22-28-32-33-29-22/h4-13H,3H2,1-2H3,(H,30,31)(H,28,29,32,33).
What are the key properties of N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide?
N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 543.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 54158998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).