2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

C24H17F7N6O3S — CID 155390410

IUPAC2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(-c3ccc(OC(F)(F)C(F)F)cc3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C24H17F7N6O3S/c1-3-41(38,39)21-17(20-34-15-10-13(23(27,28)29)11-33-18(15)36(20)2)19-32-9-8-16(37(19)35-21)12-4-6-14(7-5-12)40-24(30,31)22(25)26/h4-11,22H,3H2,1-2H3
InChIKeyVLZWRGDLRVXSOS-UHFFFAOYSA-N
MW602.49 g/mol
LogP5.39
Rot. Bonds7

About 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155390410) has the molecular formula C24H17F7N6O3S and a molecular weight of 602.49 g/mol. Its IUPAC name is 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID155390410
Molecular FormulaC24H17F7N6O3S
Molecular Weight602.49 g/mol
Exact Mass602.10
IUPAC Name2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(-c3ccc(OC(F)(F)C(F)F)cc3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C24H17F7N6O3S/c1-3-41(38,39)21-17(20-34-15-10-13(23(27,28)29)11-33-18(15)36(20)2)19-32-9-8-16(37(19)35-21)12-4-6-14(7-5-12)40-24(30,31)22(25)26/h4-11,22H,3H2,1-2H3
InChIKeyVLZWRGDLRVXSOS-UHFFFAOYSA-N
XLogP5.39
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine 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-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 155390410) is 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)c1nn2c(-c3ccc(OC(F)(F)C(F)F)cc3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is VLZWRGDLRVXSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F7N6O3S/c1-3-41(38,39)21-17(20-34-15-10-13(23(27,28)29)11-33-18(15)36(20)2)19-32-9-8-16(37(19)35-21)12-4-6-14(7-5-12)40-24(30,31)22(25)26/h4-11,22H,3H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 602.49 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155390410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).