N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine

C16H19FN6O — CID 163301599

IUPACN-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCn1cc(-c2cn3nccc3c(OC3CC(NCCF)C3)n2)cn1
InChIInChI=1S/C16H19FN6O/c1-22-9-11(8-20-22)14-10-23-15(2-4-19-23)16(21-14)24-13-6-12(7-13)18-5-3-17/h2,4,8-10,12-13,18H,3,5-7H2,1H3
InChIKeyMLCFVQSHVRGJSK-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.60
Rot. Bonds6

About N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine

N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (PubChem CID 163301599) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
PubChem CID163301599
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC NameN-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCn1cc(-c2cn3nccc3c(OC3CC(NCCF)C3)n2)cn1
InChIInChI=1S/C16H19FN6O/c1-22-9-11(8-20-22)14-10-23-15(2-4-19-23)16(21-14)24-13-6-12(7-13)18-5-3-17/h2,4,8-10,12-13,18H,3,5-7H2,1H3
InChIKeyMLCFVQSHVRGJSK-UHFFFAOYSA-N
XLogP1.60
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (CID 163301599) is N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is Cn1cc(-c2cn3nccc3c(OC3CC(NCCF)C3)n2)cn1.
What is the InChIKey of N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The InChIKey is MLCFVQSHVRGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O/c1-22-9-11(8-20-22)14-10-23-15(2-4-19-23)16(21-14)24-13-6-12(7-13)18-5-3-17/h2,4,8-10,12-13,18H,3,5-7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine has a molecular weight of 330.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 163301599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).