4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine

C15H12N6 — CID 123199320

IUPAC4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine
SMILESc1c[nH]c(-c2cncc(-c3ccn[nH]3)c2-c2ncc[nH]2)c1
InChIInChI=1S/C15H12N6/c1-2-12(17-4-1)10-8-16-9-11(13-3-5-20-21-13)14(10)15-18-6-7-19-15/h1-9,17H,(H,18,19)(H,20,21)
InChIKeyHJGWSTWQFQWOPG-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.86
Rot. Bonds3

About 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine

4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine (PubChem CID 123199320) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine
PubChem CID123199320
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine
SMILESc1c[nH]c(-c2cncc(-c3ccn[nH]3)c2-c2ncc[nH]2)c1
InChIInChI=1S/C15H12N6/c1-2-12(17-4-1)10-8-16-9-11(13-3-5-20-21-13)14(10)15-18-6-7-19-15/h1-9,17H,(H,18,19)(H,20,21)
InChIKeyHJGWSTWQFQWOPG-UHFFFAOYSA-N
XLogP2.86
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine?
The IUPAC name of 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine (CID 123199320) is 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine is c1c[nH]c(-c2cncc(-c3ccn[nH]3)c2-c2ncc[nH]2)c1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine?
The InChIKey is HJGWSTWQFQWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-2-12(17-4-1)10-8-16-9-11(13-3-5-20-21-13)14(10)15-18-6-7-19-15/h1-9,17H,(H,18,19)(H,20,21).
What are the key properties of 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine?
4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine has a molecular weight of 276.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 123199320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).