7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine

C19H16F3N5O2S — CID 177235949

IUPAC7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C19H16F3N5O2S/c1-2-30(28,29)18-16(17-23-8-7-14(11-3-4-11)27(17)25-18)13-10-26-9-12(19(20,21)22)5-6-15(26)24-13/h5-11H,2-4H2,1H3
InChIKeyOISFQSCJNKLRFK-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.73
Rot. Bonds4

About 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine

7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 177235949) has the molecular formula C19H16F3N5O2S and a molecular weight of 435.43 g/mol. Its IUPAC name is 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID177235949
Molecular FormulaC19H16F3N5O2S
Molecular Weight435.43 g/mol
Exact Mass435.10
IUPAC Name7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C19H16F3N5O2S/c1-2-30(28,29)18-16(17-23-8-7-14(11-3-4-11)27(17)25-18)13-10-26-9-12(19(20,21)22)5-6-15(26)24-13/h5-11H,2-4H2,1H3
InChIKeyOISFQSCJNKLRFK-UHFFFAOYSA-N
XLogP3.73
TPSA81.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 165394036
[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
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-ethylsulfanyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 177236367
3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one
CID 165394098
2-cyclopropyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 121206446
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
ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236341
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
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
2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177236025

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 177235949) is 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1cn2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is OISFQSCJNKLRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2S/c1-2-30(28,29)18-16(17-23-8-7-14(11-3-4-11)27(17)25-18)13-10-26-9-12(19(20,21)22)5-6-15(26)24-13/h5-11H,2-4H2,1H3.
What are the key properties of 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 435.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 177235949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).