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

C17H13FN4 — CID 90241443

IUPAC2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnn(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C17H13FN4/c1-11-8-20-22(10-11)15-6-13-7-16(21-17(13)19-9-15)12-2-4-14(18)5-3-12/h2-10H,1H3,(H,19,21)
InChIKeyADEGDZWVKVUHAK-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.86
Rot. Bonds2

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

2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90241443) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90241443
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnn(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C17H13FN4/c1-11-8-20-22(10-11)15-6-13-7-16(21-17(13)19-9-15)12-2-4-14(18)5-3-12/h2-10H,1H3,(H,19,21)
InChIKeyADEGDZWVKVUHAK-UHFFFAOYSA-N
XLogP3.86
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90241443) is 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1cnn(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ADEGDZWVKVUHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c1-11-8-20-22(10-11)15-6-13-7-16(21-17(13)19-9-15)12-2-4-14(18)5-3-12/h2-10H,1H3,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine?
2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 292.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).