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

C16H19F3N4 — CID 170784997

IUPAC6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(CC3CC4(CCNCC4)C3)cn2n1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)13-6-14-21-9-12(10-23(14)22-13)5-11-7-15(8-11)1-3-20-4-2-15/h6,9-11,20H,1-5,7-8H2
InChIKeyKLVVKRYEVWKNKX-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.07
Rot. Bonds2

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

6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170784997) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID170784997
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(CC3CC4(CCNCC4)C3)cn2n1
InChIInChI=1S/C16H19F3N4/c17-16(18,19)13-6-14-21-9-12(10-23(14)22-13)5-11-7-15(8-11)1-3-20-4-2-15/h6,9-11,20H,1-5,7-8H2
InChIKeyKLVVKRYEVWKNKX-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

5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425
5-(Piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318088
N-Octyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366061
6-ethyl-5-methyl-N~4~-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine
CID 72939719
N,N-dimethyl-1-[2-methyl-7-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 95815226
trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418772
trans-(1S,3S)-3-N-[5-[cyclobutyl(fluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409654
trans-(1S,3S)-3-N-[5-[(R)-cyclobutyl(fluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409695
trans-(1S,3S)-3-N-[5-[(S)-cyclobutyl(fluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409706
trans-(1S,3S)-3-N-[5-[(3,3-difluorocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409753

Frequently Asked Questions

What is the IUPAC name of 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 170784997) is 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc2ncc(CC3CC4(CCNCC4)C3)cn2n1.
What is the InChIKey of 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KLVVKRYEVWKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c17-16(18,19)13-6-14-21-9-12(10-23(14)22-13)5-11-7-15(8-11)1-3-20-4-2-15/h6,9-11,20H,1-5,7-8H2.
What are the key properties of 6-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
6-(7-azaspiro[3.5]nonan-2-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-(7-azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170784997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).