1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine

C31H25N13 — CID 141188482

IUPAC1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine
SMILESC1=CC(C2(c3ncccn3)C(c3cnccn3)C(c3ccccn3)=C(c3ccn[nH]3)N(c3ncc[nH]3)N2c2ccc[nH]2)N=C1
InChIInChI=1S/C31H25N13/c1-2-10-33-21(6-1)26-27(23-20-32-16-17-34-23)31(24-7-3-11-35-24,29-37-13-5-14-38-29)44(25-8-4-12-36-25)43(30-39-18-19-40-30)28(26)22-9-15-41-42-22/h1-20,24,27,36H,(H,39,40)(H,41,42)
InChIKeyYKMURPJYOIJCLO-UHFFFAOYSA-N
MW579.63 g/mol
LogP3.93
Rot. Bonds7

About 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine

1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine (PubChem CID 141188482) has the molecular formula C31H25N13 and a molecular weight of 579.63 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine
PubChem CID141188482
Molecular FormulaC31H25N13
Molecular Weight579.63 g/mol
Exact Mass579.24
IUPAC Name1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine
SMILESC1=CC(C2(c3ncccn3)C(c3cnccn3)C(c3ccccn3)=C(c3ccn[nH]3)N(c3ncc[nH]3)N2c2ccc[nH]2)N=C1
InChIInChI=1S/C31H25N13/c1-2-10-33-21(6-1)26-27(23-20-32-16-17-34-23)31(24-7-3-11-35-24,29-37-13-5-14-38-29)44(25-8-4-12-36-25)43(30-39-18-19-40-30)28(26)22-9-15-41-42-22/h1-20,24,27,36H,(H,39,40)(H,41,42)
InChIKeyYKMURPJYOIJCLO-UHFFFAOYSA-N
XLogP3.93
TPSA156.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.63
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine?
The IUPAC name of 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine (CID 141188482) is 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine is C1=CC(C2(c3ncccn3)C(c3cnccn3)C(c3ccccn3)=C(c3ccn[nH]3)N(c3ncc[nH]3)N2c2ccc[nH]2)N=C1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine?
The InChIKey is YKMURPJYOIJCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N13/c1-2-10-33-21(6-1)26-27(23-20-32-16-17-34-23)31(24-7-3-11-35-24,29-37-13-5-14-38-29)44(25-8-4-12-36-25)43(30-39-18-19-40-30)28(26)22-9-15-41-42-22/h1-20,24,27,36H,(H,39,40)(H,41,42).
What are the key properties of 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine?
1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine has a molecular weight of 579.63 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3-(2H-pyrrol-2-yl)-4H-pyridazine is sourced from PubChem (CID 141188482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).