5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C15H12N5O+ — CID 147217428

IUPAC5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESO[n+]1cccc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
InChIInChI=1S/C15H12N5O/c21-20-5-1-2-10(9-20)11-6-12-13(14-3-4-18-19-14)8-17-15(12)16-7-11/h1-9,21H,(H,16,17)(H,18,19)/q+1
InChIKeyCGKAMOAZTFKVFS-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.14
Rot. Bonds2

About 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 147217428) has the molecular formula C15H12N5O+ and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID147217428
Molecular FormulaC15H12N5O+
Molecular Weight278.30 g/mol
Exact Mass278.10
IUPAC Name5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESO[n+]1cccc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
InChIInChI=1S/C15H12N5O/c21-20-5-1-2-10(9-20)11-6-12-13(14-3-4-18-19-14)8-17-15(12)16-7-11/h1-9,21H,(H,16,17)(H,18,19)/q+1
InChIKeyCGKAMOAZTFKVFS-UHFFFAOYSA-N
XLogP2.14
TPSA81.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 135983722
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44623244
2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 11515031
1-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-1-ium-3-carboxamide
CID 59699717
2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532
4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11952995
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 147217428) is 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is O[n+]1cccc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1.
What is the InChIKey of 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CGKAMOAZTFKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N5O/c21-20-5-1-2-10(9-20)11-6-12-13(14-3-4-18-19-14)8-17-15(12)16-7-11/h1-9,21H,(H,16,17)(H,18,19)/q+1.
What are the key properties of 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 278.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 147217428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).