5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine

C16H16F3N5O2S — CID 156834337

IUPAC5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine
SMILESCCS(=O)(=O)c1cc(N(C)C)cnc1-c1ccn2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H16F3N5O2S/c1-4-27(25,26)12-7-10(23(2)3)9-20-15(12)11-5-6-24-14(21-11)8-13(22-24)16(17,18)19/h5-9H,4H2,1-3H3
InChIKeyQNIMXEIVONHHIR-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.67
Rot. Bonds4

About 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine

5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine (PubChem CID 156834337) has the molecular formula C16H16F3N5O2S and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine
PubChem CID156834337
Molecular FormulaC16H16F3N5O2S
Molecular Weight399.40 g/mol
Exact Mass399.10
IUPAC Name5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine
SMILESCCS(=O)(=O)c1cc(N(C)C)cnc1-c1ccn2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H16F3N5O2S/c1-4-27(25,26)12-7-10(23(2)3)9-20-15(12)11-5-6-24-14(21-11)8-13(22-24)16(17,18)19/h5-9H,4H2,1-3H3
InChIKeyQNIMXEIVONHHIR-UHFFFAOYSA-N
XLogP2.67
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-ethylsulfonyl-5-pyrimidin-5-yl-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834309
5-[3-ethylsulfonyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834187
5-(3-ethylsulfonyl-6-methoxy-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834252
5-(3-ethylsulfonyl-6-propan-2-yloxy-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834271
5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834194
N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine
CID 166171981
5-[3-ethylsulfonyl-6-[1-(sulfinatoamino)cyclopropyl]-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174225032
5-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-[5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-7-(trifluoromethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 174225036
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 155730506
5-[3-ethylsulfanyl-5-(4-fluorophenyl)-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834262
4-(4-chlorophenyl)-2-[3-ethylsulfonyl-5-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-1,2,4-triazol-3-one
CID 156834173
5-[3-ethylsulfanyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834125

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine?
The IUPAC name of 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine (CID 156834337) is 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine is CCS(=O)(=O)c1cc(N(C)C)cnc1-c1ccn2nc(C(F)(F)F)cc2n1.
What is the InChIKey of 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine?
The InChIKey is QNIMXEIVONHHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S/c1-4-27(25,26)12-7-10(23(2)3)9-20-15(12)11-5-6-24-14(21-11)8-13(22-24)16(17,18)19/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine?
5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine has a molecular weight of 399.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine is sourced from PubChem (CID 156834337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).