5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C19H19F3N4O2 — CID 78318374

IUPAC5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CCOC4)n3)cc12
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)15-8-24-18-14(15)5-12(7-23-18)16-6-17(11-1-3-27-9-11)26(25-16)13-2-4-28-10-13/h5-8,11,13H,1-4,9-10H2,(H,23,24)
InChIKeyMUKOELXVXQLDCC-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.91
Rot. Bonds3

About 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 78318374) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID78318374
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CCOC4)n3)cc12
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)15-8-24-18-14(15)5-12(7-23-18)16-6-17(11-1-3-27-9-11)26(25-16)13-2-4-28-10-13/h5-8,11,13H,1-4,9-10H2,(H,23,24)
InChIKeyMUKOELXVXQLDCC-UHFFFAOYSA-N
XLogP3.91
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 78318374) is 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)c1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CCOC4)n3)cc12.
What is the InChIKey of 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MUKOELXVXQLDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)15-8-24-18-14(15)5-12(7-23-18)16-6-17(11-1-3-27-9-11)26(25-16)13-2-4-28-10-13/h5-8,11,13H,1-4,9-10H2,(H,23,24).
What are the key properties of 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 392.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,5-bis(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 78318374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).