3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole

C34H22N14O — CID 141174879

IUPAC3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole
SMILESc1ccc(-c2c(-c3ncccn3)c3c(c(-c4cc[nH]n4)c2-c2ncc[nH]2)C(c2cnccn2)(c2ccon2)NN=C3c2cccnn2)nc1
InChIInChI=1S/C34H22N14O/c1-2-9-36-20(5-1)25-27(32-40-16-17-41-32)26(21-7-13-43-44-21)30-29(28(25)33-38-10-4-11-39-33)31(22-6-3-12-42-45-22)46-48-34(30,23-8-18-49-47-23)24-19-35-14-15-37-24/h1-19,48H,(H,40,41)(H,43,44)
InChIKeyVTCHPADOLKNVGE-UHFFFAOYSA-N
MW642.65 g/mol
LogP4.20
Rot. Bonds7

About 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole

3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole (PubChem CID 141174879) has the molecular formula C34H22N14O and a molecular weight of 642.65 g/mol. Its IUPAC name is 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole
PubChem CID141174879
Molecular FormulaC34H22N14O
Molecular Weight642.65 g/mol
Exact Mass642.21
IUPAC Name3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole
SMILESc1ccc(-c2c(-c3ncccn3)c3c(c(-c4cc[nH]n4)c2-c2ncc[nH]2)C(c2cnccn2)(c2ccon2)NN=C3c2cccnn2)nc1
InChIInChI=1S/C34H22N14O/c1-2-9-36-20(5-1)25-27(32-40-16-17-41-32)26(21-7-13-43-44-21)30-29(28(25)33-38-10-4-11-39-33)31(22-6-3-12-42-45-22)46-48-34(30,23-8-18-49-47-23)24-19-35-14-15-37-24/h1-19,48H,(H,40,41)(H,43,44)
InChIKeyVTCHPADOLKNVGE-UHFFFAOYSA-N
XLogP4.20
TPSA198.01 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.65
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

3-(5-isoquinolin-1-yl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,2-oxazole
CID 141021000
3-[3-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-1-quinolin-2-yl-7-(1H-tetrazol-5-yl)isoquinolin-5-yl]-1,2-oxazole
CID 141064053
3-[2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-3-(1H-pyrrol-2-yl)pyrrol-3-yl]-1,2-oxazole
CID 141066663
3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole
CID 141068357
3-[2-(1H-indazol-3-yl)-3-(7H-purin-2-yl)-1-pyrazin-2-yl-6-pyridazin-3-yl-5-pyridin-2-yl-7-pyrimidin-2-yl-3H-inden-4-yl]-1,2-oxazole
CID 141204913
3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole
CID 141219817
4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine
CID 141219818
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-3-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-quinolin-2-ylpyrrolidin-3-yl]-1,2-oxazole
CID 141385601

Frequently Asked Questions

What is the IUPAC name of 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole?
The IUPAC name of 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole (CID 141174879) is 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole.
What is the SMILES notation for 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole?
The canonical SMILES for 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole is c1ccc(-c2c(-c3ncccn3)c3c(c(-c4cc[nH]n4)c2-c2ncc[nH]2)C(c2cnccn2)(c2ccon2)NN=C3c2cccnn2)nc1.
What is the InChIKey of 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole?
The InChIKey is VTCHPADOLKNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N14O/c1-2-9-36-20(5-1)25-27(32-40-16-17-41-32)26(21-7-13-43-44-21)30-29(28(25)33-38-10-4-11-39-33)31(22-6-3-12-42-45-22)46-48-34(30,23-8-18-49-47-23)24-19-35-14-15-37-24/h1-19,48H,(H,40,41)(H,43,44).
What are the key properties of 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole?
3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole has a molecular weight of 642.65 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole is sourced from PubChem (CID 141174879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).