2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine

C18H15FN6O — CID 135293514

IUPAC2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine
SMILESNCCOc1cncc(-c2cc3c(cn2)cnn3-c2ccccc2F)n1
InChIInChI=1S/C18H15FN6O/c19-13-3-1-2-4-16(13)25-17-7-14(22-8-12(17)9-23-25)15-10-21-11-18(24-15)26-6-5-20/h1-4,7-11H,5-6,20H2
InChIKeyMXQRUZVKGIOCFS-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.35
Rot. Bonds5

About 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine

2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine (PubChem CID 135293514) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine.

Molecular Properties

Compound Name2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine
PubChem CID135293514
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine
SMILESNCCOc1cncc(-c2cc3c(cn2)cnn3-c2ccccc2F)n1
InChIInChI=1S/C18H15FN6O/c19-13-3-1-2-4-16(13)25-17-7-14(22-8-12(17)9-23-25)15-10-21-11-18(24-15)26-6-5-20/h1-4,7-11H,5-6,20H2
InChIKeyMXQRUZVKGIOCFS-UHFFFAOYSA-N
XLogP2.35
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine?
The IUPAC name of 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine (CID 135293514) is 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine.
What is the SMILES notation for 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine?
The canonical SMILES for 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine is NCCOc1cncc(-c2cc3c(cn2)cnn3-c2ccccc2F)n1.
What is the InChIKey of 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine?
The InChIKey is MXQRUZVKGIOCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c19-13-3-1-2-4-16(13)25-17-7-14(22-8-12(17)9-23-25)15-10-21-11-18(24-15)26-6-5-20/h1-4,7-11H,5-6,20H2.
What are the key properties of 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine?
2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine has a molecular weight of 350.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxyethanamine is sourced from PubChem (CID 135293514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).