4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine

C18H20F3N5O2 — CID 54673234

IUPAC4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc(-c2n[nH]c3cc(C(F)(F)F)nc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C18H20F3N5O2/c1-10(2)26-9-11(8-22-26)16-15-13(24-25-16)7-14(18(19,20)21)23-17(15)28-12-3-5-27-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,24,25)
InChIKeyKXVYFOALBMHJLK-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.98
Rot. Bonds4

About 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine

4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 54673234) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID54673234
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc(-c2n[nH]c3cc(C(F)(F)F)nc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C18H20F3N5O2/c1-10(2)26-9-11(8-22-26)16-15-13(24-25-16)7-14(18(19,20)21)23-17(15)28-12-3-5-27-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,24,25)
InChIKeyKXVYFOALBMHJLK-UHFFFAOYSA-N
XLogP3.98
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.98
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-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine (CID 54673234) is 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine is CC(C)n1cc(-c2n[nH]c3cc(C(F)(F)F)nc(OC4CCOCC4)c23)cn1.
What is the InChIKey of 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is KXVYFOALBMHJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-10(2)26-9-11(8-22-26)16-15-13(24-25-16)7-14(18(19,20)21)23-17(15)28-12-3-5-27-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,24,25).
What are the key properties of 4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine?
4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 395.39 g/mol, XLogP of 3.98, 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-propan-2-ylpyrazol-4-yl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 54673234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).