6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C16H19F3N4 — CID 170784969

IUPAC6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(CC3CCC4(CC3)CNC4)cn2n1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)13-6-14-21-7-12(8-23(14)22-13)5-11-1-3-15(4-2-11)9-20-10-15/h6-8,11,20H,1-5,9-10H2
InChIKeyWCYBMKGQFDOBAG-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.07
Rot. Bonds2

About 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170784969) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID170784969
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(CC3CCC4(CC3)CNC4)cn2n1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)13-6-14-21-7-12(8-23(14)22-13)5-11-1-3-15(4-2-11)9-20-10-15/h6-8,11,20H,1-5,9-10H2
InChIKeyWCYBMKGQFDOBAG-UHFFFAOYSA-N
XLogP3.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-3-N-[5-[(3,3-difluorocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409753
4-Methyl-6-[5-(trifluoromethyl)-4,5,6,7-tetra-hydro-2h-indazol-2-yl]pyrimidin-2-amine
CID 129749248
4-(5-Difluoromethyl-4,5,6,7-tetrahydro-2h-indazol-2-yl)-6-methylpyrimidin-2-amine
CID 129749291
N-[(2-tert-butylpyrimidin-5-yl)methyl]-3-cyclohexyl-1-methylpyrazol-5-amine
CID 132971285
7-[4-(Azetidin-3-yl)-2-methyl-1-phenylbutan-2-yl]-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 124029550
(1S,3S)-3-N-[5-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558363
[2-[(4,4-Difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methanamine
CID 157030840
N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]thiohydroxylamine
CID 157031244
6-[(4,4-difluorocyclohexyl)methyl]-N-(3,3-dimethylcyclobutyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 159011394
6-ethyl-5-methyl-7-[(3R)-3-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 162723779
5-Methylpyrazolo[1,5-a]pyrimidine;piperidine-1-carboximidamide;trifluoromethylcyclohexane
CID 162723820
5,6-dimethyl-7-[(3R)-3-methylpiperidin-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 162723962

Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 170784969) is 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc2ncc(CC3CCC4(CC3)CNC4)cn2n1.
What is the InChIKey of 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WCYBMKGQFDOBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c17-16(18,19)13-6-14-21-7-12(8-23(14)22-13)5-11-1-3-15(4-2-11)9-20-10-15/h6-8,11,20H,1-5,9-10H2.
What are the key properties of 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 324.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170784969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).