6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine

C29H23N15O — CID 141005760

About 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine

6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine (PubChem CID 141005760) has the molecular formula C29H23N15O and a molecular weight of 597.61 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine.

Molecular Properties

• Compound Name: 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine
• PubChem CID: 141005760
• Molecular Formula: C29H23N15O
• Molecular Weight: 597.61 g/mol
• Exact Mass: 597.22
• IUPAC Name: 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine
• SMILES: c1ccc(C2(c3cn[nH]n3)OC(c3ccn[nH]3)(c3ncc[nH]3)CN(c3cccnn3)C2(c2cnccn2)c2ncccn2)nc1
• InChI: InChI=1S/C29H23N15O/c1-2-8-31-21(5-1)29(23-18-39-43-41-23)28(22-17-30-13-14-32-22,26-33-9-4-10-34-26)44(24-6-3-11-37-42-24)19-27(45-29,20-7-12-38-40-20)25-35-15-16-36-25/h1-18H,19H2,(H,35,36)(H,38,40)(H,39,41,43)
• InChIKey: PLNBUJBLGVANOR-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 201.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.61
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine?

The IUPAC name of 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine (CID 141005760) is 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine.

What is the SMILES notation for 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine?

The canonical SMILES for 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine is c1ccc(C2(c3cn[nH]n3)OC(c3ccn[nH]3)(c3ncc[nH]3)CN(c3cccnn3)C2(c2cnccn2)c2ncccn2)nc1.

What is the InChIKey of 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine?

The InChIKey is PLNBUJBLGVANOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N15O/c1-2-8-31-21(5-1)29(23-18-39-43-41-23)28(22-17-30-13-14-32-22,26-33-9-4-10-34-26)44(24-6-3-11-37-42-24)19-27(45-29,20-7-12-38-40-20)25-35-15-16-36-25/h1-18H,19H2,(H,35,36)(H,38,40)(H,39,41,43).

What are the key properties of 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine?

6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine has a molecular weight of 597.61 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine is sourced from PubChem (CID 141005760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).