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

C21H18N6 — CID 73057484

IUPAC3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)cn1
InChIInChI=1S/C21H18N6/c1-26-13-17(9-24-26)16-7-19-20(11-23-21(19)22-8-16)18-10-25-27(14-18)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23)
InChIKeyHCWGKZMWRCORGX-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.88
Rot. Bonds4

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

3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 73057484) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID73057484
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)cn1
InChIInChI=1S/C21H18N6/c1-26-13-17(9-24-26)16-7-19-20(11-23-21(19)22-8-16)18-10-25-27(14-18)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23)
InChIKeyHCWGKZMWRCORGX-UHFFFAOYSA-N
XLogP3.88
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 73057484) is 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)cn1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HCWGKZMWRCORGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-26-13-17(9-24-26)16-7-19-20(11-23-21(19)22-8-16)18-10-25-27(14-18)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23).
What are the key properties of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 354.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 73057484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).