2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole

C32H22N10O3 — CID 141092472

IUPAC2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole
SMILESc1ccc(C2=C(c3ccon3)OC(c3cnccn3)(c3ncco3)C(c3ncccn3)(c3ccc[nH]3)C2c2cccnn2)nc1
InChIInChI=1S/C32H22N10O3/c1-2-10-34-21(6-1)26-27(22-7-3-14-40-41-22)31(24-8-4-11-35-24,29-37-12-5-13-38-29)32(30-39-17-19-43-30,25-20-33-15-16-36-25)45-28(26)23-9-18-44-42-23/h1-20,27,35H
InChIKeyLYJPNBXDZBILBU-UHFFFAOYSA-N
MW594.60 g/mol
LogP4.37
Rot. Bonds7

About 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole

2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole (PubChem CID 141092472) has the molecular formula C32H22N10O3 and a molecular weight of 594.60 g/mol. Its IUPAC name is 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole
PubChem CID141092472
Molecular FormulaC32H22N10O3
Molecular Weight594.60 g/mol
Exact Mass594.19
IUPAC Name2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole
SMILESc1ccc(C2=C(c3ccon3)OC(c3cnccn3)(c3ncco3)C(c3ncccn3)(c3ccc[nH]3)C2c2cccnn2)nc1
InChIInChI=1S/C32H22N10O3/c1-2-10-34-21(6-1)26-27(22-7-3-14-40-41-22)31(24-8-4-11-35-24,29-37-12-5-13-38-29)32(30-39-17-19-43-30,25-20-33-15-16-36-25)45-28(26)23-9-18-44-42-23/h1-20,27,35H
InChIKeyLYJPNBXDZBILBU-UHFFFAOYSA-N
XLogP4.37
TPSA167.31 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole
CID 140993856
3-(1,3-Oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine
CID 141014612
2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole
CID 141195754
5-Imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyridin-3-ol;5-(1-methylpyrazol-3-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyridin-3-ol;2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1,3-oxazol-2-yl)pyridin-3-ol
CID 165099239
cumene;tris(2-methylpropylbenzene);bis(2-(2-methylpropyl)furan);bis(2-(2-methylpropyl)-1H-imidazole);bis(2-(2-methylpropyl)-1,3-oxazole);5-(2-methylpropyl)-1,2-oxazole;bis(5-(2-methylpropyl)-1H-pyrazole);3-(2-methylpropyl)pyridazine;tris(2-(2-methylpropyl)pyridine);bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine;bis(2-(2-methylpropyl)-1H-pyrrole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
CID 167625227
(2R)-N-(5-cinnolin-4-yl-4-methyl-3-pyridinyl)-2-(1H-imidazol-2-yl)-2-methoxy-2-phenylacetamide;(2R)-N-(6-cinnolin-4-yl-4-methyl-2-pyridinyl)-2-methoxy-2-(1,2-oxazol-3-yl)-2-phenylacetamide;(2R)-2-hydroxy-2-(6-methoxy-2-pyridinyl)-N-[5-(1,6-naphthyridin-8-yl)-3-pyridinyl]-2-(1,3-oxazol-2-yl)acetamide;(2R)-2-methoxy-N-[4-methyl-5-(1,6-naphthyridin-8-yl)-3-pyridinyl]-2-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide
CID 168381300
(2R)-N-(5-cinnolin-4-yl-3-pyridinyl)-2-(1H-imidazol-2-yl)-2-methoxy-2-(3-methoxyphenyl)acetamide;(2R)-N-(6-cinnolin-4-yl-2-pyridinyl)-2-methoxy-2-(3-methoxyphenyl)-2-(1,2-oxazol-3-yl)acetamide;(2R)-N-(6-cinnolin-4-yl-2-pyridinyl)-2-methoxy-2-(2-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide;(2R)-2-methoxy-2-(3-methyl-2-pyridinyl)-N-[5-(1,6-naphthyridin-8-yl)-3-pyridinyl]-2-(1,3-oxazol-2-yl)acetamide
CID 168386071
(2S)-N-(5-cinnolin-4-yl-3-pyridinyl)-2-(1H-imidazol-2-yl)-2-methoxy-2-(2-methylphenyl)acetamide;(2S)-N-(6-cinnolin-4-yl-2-pyridinyl)-2-methoxy-2-(2-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide;(2S)-2-methoxy-N-[2-methoxy-5-(1,6-naphthyridin-8-yl)-3-pyridinyl]-2-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide;(2S)-2-methoxy-N-[4-methyl-5-(1,6-naphthyridin-8-yl)-3-pyridinyl]-2-(3-methyl-2-pyridinyl)-2-(1,3-oxazol-2-yl)acetamide
CID 168421816

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole (CID 141092472) is 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole is c1ccc(C2=C(c3ccon3)OC(c3cnccn3)(c3ncco3)C(c3ncccn3)(c3ccc[nH]3)C2c2cccnn2)nc1.
What is the InChIKey of 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?
The InChIKey is LYJPNBXDZBILBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N10O3/c1-2-10-34-21(6-1)26-27(22-7-3-14-40-41-22)31(24-8-4-11-35-24,29-37-12-5-13-38-29)32(30-39-17-19-43-30,25-20-33-15-16-36-25)45-28(26)23-9-18-44-42-23/h1-20,27,35H.
What are the key properties of 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?
2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole has a molecular weight of 594.60 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole is sourced from PubChem (CID 141092472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).