N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C15H18F3N5O — CID 154844787

IUPACN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCCN3CC4CCC(C3)O4)nccn2n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)13-7-12-14(20-4-6-23(12)21-13)19-3-5-22-8-10-1-2-11(9-22)24-10/h4,6-7,10-11H,1-3,5,8-9H2,(H,19,20)
InChIKeyFEKXXDPHPSGXSR-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 154844787) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID154844787
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCCN3CC4CCC(C3)O4)nccn2n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)13-7-12-14(20-4-6-23(12)21-13)19-3-5-22-8-10-1-2-11(9-22)24-10/h4,6-7,10-11H,1-3,5,8-9H2,(H,19,20)
InChIKeyFEKXXDPHPSGXSR-UHFFFAOYSA-N
XLogP2.02
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine with MolForge

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Related Compounds

(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
(R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11247946
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11720166
3-ethyl-5-(piperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46830325
(S)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46886964
3-ethyl-1-(2-isopropoxyethyl)-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887484
N5-(2-aminoethyl)-3-ethyl-N7-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11582654
3-ethyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11583812
5-(1,4-diazepan-1-yl)-3-ethyl-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11605112
5-(1,4-diazepan-1-yl)-3-methyl-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887569
US10336761, Example 247
CID 126484184

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 154844787) is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)c1cc2c(NCCN3CC4CCC(C3)O4)nccn2n1.
What is the InChIKey of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is FEKXXDPHPSGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)13-7-12-14(20-4-6-23(12)21-13)19-3-5-22-8-10-1-2-11(9-22)24-10/h4,6-7,10-11H,1-3,5,8-9H2,(H,19,20).
What are the key properties of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 341.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 154844787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).