5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C25H18BrN9 — CID 158470943

IUPAC5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]cc(-c3ccn[nH]3)c2c1.c1cncc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
InChIInChI=1S/C15H11N5.C10H7BrN4/c1-2-10(7-16-4-1)11-6-12-13(14-3-5-19-20-14)9-18-15(12)17-8-11;11-6-3-7-8(9-1-2-14-15-9)5-13-10(7)12-4-6/h1-9H,(H,17,18)(H,19,20);1-5H,(H,12,13)(H,14,15)
InChIKeyHGIMHLPYXSGIAK-UHFFFAOYSA-N
MW524.39 g/mol
LogP5.73
Rot. Bonds3

About 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158470943) has the molecular formula C25H18BrN9 and a molecular weight of 524.39 g/mol. Its IUPAC name is 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID158470943
Molecular FormulaC25H18BrN9
Molecular Weight524.39 g/mol
Exact Mass523.09
IUPAC Name5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]cc(-c3ccn[nH]3)c2c1.c1cncc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
InChIInChI=1S/C15H11N5.C10H7BrN4/c1-2-10(7-16-4-1)11-6-12-13(14-3-5-19-20-14)9-18-15(12)17-8-11;11-6-3-7-8(9-1-2-14-15-9)5-13-10(7)12-4-6/h1-9H,(H,17,18)(H,19,20);1-5H,(H,12,13)(H,14,15)
InChIKeyHGIMHLPYXSGIAK-UHFFFAOYSA-N
XLogP5.73
TPSA127.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.39
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 158470943) is 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is Brc1cnc2[nH]cc(-c3ccn[nH]3)c2c1.c1cncc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1.
What is the InChIKey of 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HGIMHLPYXSGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5.C10H7BrN4/c1-2-10(7-16-4-1)11-6-12-13(14-3-5-19-20-14)9-18-15(12)17-8-11;11-6-3-7-8(9-1-2-14-15-9)5-13-10(7)12-4-6/h1-9H,(H,17,18)(H,19,20);1-5H,(H,12,13)(H,14,15).
What are the key properties of 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 524.39 g/mol, XLogP of 5.73, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-5-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158470943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).