5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C18H13F3N4 — CID 166632581

IUPAC5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cccc(C(F)(F)F)c4)c3c2)cn1
InChIInChI=1S/C18H13F3N4/c1-25-10-13(8-24-25)12-6-15-16(9-23-17(15)22-7-12)11-3-2-4-14(5-11)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyJMKVQOWCXZKVCL-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.65
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166632581) has the molecular formula C18H13F3N4 and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID166632581
Molecular FormulaC18H13F3N4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC Name5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cccc(C(F)(F)F)c4)c3c2)cn1
InChIInChI=1S/C18H13F3N4/c1-25-10-13(8-24-25)12-6-15-16(9-23-17(15)22-7-12)11-3-2-4-14(5-11)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyJMKVQOWCXZKVCL-UHFFFAOYSA-N
XLogP4.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 166632581) is 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cnc3[nH]cc(-c4cccc(C(F)(F)F)c4)c3c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JMKVQOWCXZKVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4/c1-25-10-13(8-24-25)12-6-15-16(9-23-17(15)22-7-12)11-3-2-4-14(5-11)18(19,20)21/h2-10H,1H3,(H,22,23).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 342.32 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166632581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).