4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine

C16H16F3N5O2 — CID 56942222

IUPAC4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)9-24-8-10(7-21-24)14-13-12(22-23-14)1-4-20-15(13)26-11-2-5-25-6-3-11/h1,4,7-8,11H,2-3,5-6,9H2,(H,22,23)
InChIKeyVWOXQOWMJVTUCD-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.94
Rot. Bonds4

About 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine

4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56942222) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID56942222
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)9-24-8-10(7-21-24)14-13-12(22-23-14)1-4-20-15(13)26-11-2-5-25-6-3-11/h1,4,7-8,11H,2-3,5-6,9H2,(H,22,23)
InChIKeyVWOXQOWMJVTUCD-UHFFFAOYSA-N
XLogP2.94
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine (CID 56942222) is 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine is FC(F)(F)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1.
What is the InChIKey of 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is VWOXQOWMJVTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)9-24-8-10(7-21-24)14-13-12(22-23-14)1-4-20-15(13)26-11-2-5-25-6-3-11/h1,4,7-8,11H,2-3,5-6,9H2,(H,22,23).
What are the key properties of 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 367.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56942222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).