2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine

C22H22N4 — CID 134830648

IUPAC2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine
SMILESCc1ccc(C)n1-c1ccc(-c2cccc(-n3c(C)ccc3C)n2)nc1
InChIInChI=1S/C22H22N4/c1-15-8-9-16(2)25(15)19-12-13-20(23-14-19)21-6-5-7-22(24-21)26-17(3)10-11-18(26)4/h5-14H,1-4H3
InChIKeyOVMREINZJSFBHS-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.96
Rot. Bonds3

About 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine

2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine (PubChem CID 134830648) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine
PubChem CID134830648
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine
SMILESCc1ccc(C)n1-c1ccc(-c2cccc(-n3c(C)ccc3C)n2)nc1
InChIInChI=1S/C22H22N4/c1-15-8-9-16(2)25(15)19-12-13-20(23-14-19)21-6-5-7-22(24-21)26-17(3)10-11-18(26)4/h5-14H,1-4H3
InChIKeyOVMREINZJSFBHS-UHFFFAOYSA-N
XLogP4.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

Glu-P 2
CID 49970
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
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Sotirimod
CID 6450818
N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
CID 163890
1-(2-pyridinyl)-1H-benzimidazole
CID 852492
4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoline
CID 10378253
3-phenyl-3H-imidazo(4,5-b)pyridine
CID 5328491
PD-135222
CID 15079632
3-(5-methyl-1H-imidazol-1-yl)pyridine
CID 23646070
2-Methyl-3-[2-(6-pyrrolidin-1-yl-pyridin-2-yl)-ethyl]-quinoxaline
CID 72706476
US10399985, Example 23
CID 118278081
US10399985, Example 29
CID 118278224

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine (CID 134830648) is 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine is Cc1ccc(C)n1-c1ccc(-c2cccc(-n3c(C)ccc3C)n2)nc1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
The InChIKey is OVMREINZJSFBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-8-9-16(2)25(15)19-12-13-20(23-14-19)21-6-5-7-22(24-21)26-17(3)10-11-18(26)4/h5-14H,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine?
2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine has a molecular weight of 342.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-6-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 134830648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).