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

C17H16F3N5O2S — CID 166171981

IUPACN-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(NC2CC2)nc1-c1ccn2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H16F3N5O2S/c1-2-28(26,27)12-5-6-14(21-10-3-4-10)23-16(12)11-7-8-25-15(22-11)9-13(24-25)17(18,19)20/h5-10H,2-4H2,1H3,(H,21,23)
InChIKeyYINUFNAQWICAQW-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.18
Rot. Bonds5

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

N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 166171981) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine
PubChem CID166171981
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC NameN-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(NC2CC2)nc1-c1ccn2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H16F3N5O2S/c1-2-28(26,27)12-5-6-14(21-10-3-4-10)23-16(12)11-7-8-25-15(22-11)9-13(24-25)17(18,19)20/h5-10H,2-4H2,1H3,(H,21,23)
InChIKeyYINUFNAQWICAQW-UHFFFAOYSA-N
XLogP3.18
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine (CID 166171981) is N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine is CCS(=O)(=O)c1ccc(NC2CC2)nc1-c1ccn2nc(C(F)(F)F)cc2n1.
What is the InChIKey of N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is YINUFNAQWICAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c1-2-28(26,27)12-5-6-14(21-10-3-4-10)23-16(12)11-7-8-25-15(22-11)9-13(24-25)17(18,19)20/h5-10H,2-4H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine?
N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 411.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 166171981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).