N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H18F3N7O2S — CID 177235912

IUPACN-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCS(=O)(=O)c1nn2c(N(C)C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C19H18F3N7O2S/c1-3-32(30,31)18-15(16-24-13-10-11(19(20,21)22)7-9-28(13)25-16)17-23-8-6-14(29(17)26-18)27(2)12-4-5-12/h6-10,12H,3-5H2,1-2H3
InChIKeyJCVIAPYTNSIGAW-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.85
Rot. Bonds5

About N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 177235912) has the molecular formula C19H18F3N7O2S and a molecular weight of 465.46 g/mol. Its IUPAC name is N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID177235912
Molecular FormulaC19H18F3N7O2S
Molecular Weight465.46 g/mol
Exact Mass465.12
IUPAC NameN-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCS(=O)(=O)c1nn2c(N(C)C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C19H18F3N7O2S/c1-3-32(30,31)18-15(16-24-13-10-11(19(20,21)22)7-9-28(13)25-16)17-23-8-6-14(29(17)26-18)27(2)12-4-5-12/h6-10,12H,3-5H2,1-2H3
InChIKeyJCVIAPYTNSIGAW-UHFFFAOYSA-N
XLogP2.85
TPSA97.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235937
4-[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 177235886
[7-cyclopropyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-imino-oxo-λ6-sulfane
CID 177235854
3-[[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
CID 177235933
N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236448
2-[2-ethylsulfonyl-7-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 155738825
N-[2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcyclopropanecarboxamide
CID 177235867
7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235949
ethyl 2-[[2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-oxoacetate
CID 177236008
5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde
CID 155730508
2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168854033
(E)-1-cyclopropyl-1-[5-ethylsulfonyl-6-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridinyl]-N-(2-methylsulfanylethoxy)methanimine
CID 167201939

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 177235912) is N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCS(=O)(=O)c1nn2c(N(C)C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1.
What is the InChIKey of N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JCVIAPYTNSIGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2S/c1-3-32(30,31)18-15(16-24-13-10-11(19(20,21)22)7-9-28(13)25-16)17-23-8-6-14(29(17)26-18)27(2)12-4-5-12/h6-10,12H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 465.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 177235912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).