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

C17H14N4 — CID 166630126

IUPAC5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cn1
InChIInChI=1S/C17H14N4/c1-21-11-14(9-20-21)13-7-15-16(10-19-17(15)18-8-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19)
InChIKeyLUTKEQNKRWOKQN-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds2

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

5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166630126) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID166630126
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cn1
InChIInChI=1S/C17H14N4/c1-21-11-14(9-20-21)13-7-15-16(10-19-17(15)18-8-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19)
InChIKeyLUTKEQNKRWOKQN-UHFFFAOYSA-N
XLogP3.63
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.63
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-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 166630126) is 5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LUTKEQNKRWOKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-11-14(9-20-21)13-7-15-16(10-19-17(15)18-8-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 274.33 g/mol, XLogP of 3.63, 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-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166630126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).