[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

C18H16F3N7OS — CID 177235854

IUPAC[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
SMILES[H]N=S(=O)(CC)c1nn2c(C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C18H16F3N7OS/c1-2-30(22,29)17-14(16-23-7-5-12(10-3-4-10)28(16)26-17)15-24-13-9-11(18(19,20)21)6-8-27(13)25-15/h5-10,22H,2-4H2,1H3
InChIKeyAPLIXOLRZPTUFS-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.76
Rot. Bonds4

About [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

[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 (PubChem CID 177235854) has the molecular formula C18H16F3N7OS and a molecular weight of 435.44 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID177235854
Molecular FormulaC18H16F3N7OS
Molecular Weight435.44 g/mol
Exact Mass435.11
IUPAC Name[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
SMILES[H]N=S(=O)(CC)c1nn2c(C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1
InChIInChI=1S/C18H16F3N7OS/c1-2-30(22,29)17-14(16-23-7-5-12(10-3-4-10)28(16)26-17)15-24-13-9-11(18(19,20)21)6-8-27(13)25-15/h5-10,22H,2-4H2,1H3
InChIKeyAPLIXOLRZPTUFS-UHFFFAOYSA-N
XLogP3.76
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Related Compounds

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
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
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
7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235949
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
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
5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde
CID 155730508
N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177235986
[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]cyanamide
CID 177235768
7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 165394036

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is [H]N=S(=O)(CC)c1nn2c(C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ccn2n1.
What is the InChIKey of [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?
The InChIKey is APLIXOLRZPTUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7OS/c1-2-30(22,29)17-14(16-23-7-5-12(10-3-4-10)28(16)26-17)15-24-13-9-11(18(19,20)21)6-8-27(13)25-15/h5-10,22H,2-4H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 435.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 177235854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).