4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C17H13BrN4 — CID 57477719

IUPAC4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccccc1Cn1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C17H13BrN4/c18-16-4-2-1-3-12(16)10-22-11-13(9-21-22)14-5-7-19-17-15(14)6-8-20-17/h1-9,11H,10H2,(H,19,20)
InChIKeyBRCUDYIFYGGXOL-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.24
Rot. Bonds3

About 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 57477719) has the molecular formula C17H13BrN4 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID57477719
Molecular FormulaC17H13BrN4
Molecular Weight353.22 g/mol
Exact Mass352.03
IUPAC Name4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccccc1Cn1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C17H13BrN4/c18-16-4-2-1-3-12(16)10-22-11-13(9-21-22)14-5-7-19-17-15(14)6-8-20-17/h1-9,11H,10H2,(H,19,20)
InChIKeyBRCUDYIFYGGXOL-UHFFFAOYSA-N
XLogP4.24
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 57477719) is 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Brc1ccccc1Cn1cc(-c2ccnc3[nH]ccc23)cn1.
What is the InChIKey of 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BRCUDYIFYGGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4/c18-16-4-2-1-3-12(16)10-22-11-13(9-21-22)14-5-7-19-17-15(14)6-8-20-17/h1-9,11H,10H2,(H,19,20).
What are the key properties of 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 353.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 57477719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).