2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine

C44H38F6N10O — CID 143918022

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine
SMILESCc1cc(C)nc(-c2ccc(-c3nc(C)c(-c4ccc(-c5ncccn5)cc4)nc3C)cc2)n1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)cnn3)CC2)nc1
InChIInChI=1S/C28H24N6.C16H14F6N4O/c1-17-16-18(2)32-28(31-17)24-12-8-22(9-13-24)26-20(4)33-25(19(3)34-26)21-6-10-23(11-7-21)27-29-14-5-15-30-27;17-15(18,19)10-1-2-13(23-8-10)26-5-3-12(4-6-26)27-14-7-11(9-24-25-14)16(20,21)22/h5-16H,1-4H3;1-2,7-9,12H,3-6H2
InChIKeyYCHGVYCBZVRLNI-UHFFFAOYSA-N
MW836.85 g/mol
LogP9.92
Rot. Bonds7

About 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine

2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine (PubChem CID 143918022) has the molecular formula C44H38F6N10O and a molecular weight of 836.85 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine
PubChem CID143918022
Molecular FormulaC44H38F6N10O
Molecular Weight836.85 g/mol
Exact Mass836.31
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine
SMILESCc1cc(C)nc(-c2ccc(-c3nc(C)c(-c4ccc(-c5ncccn5)cc4)nc3C)cc2)n1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)cnn3)CC2)nc1
InChIInChI=1S/C28H24N6.C16H14F6N4O/c1-17-16-18(2)32-28(31-17)24-12-8-22(9-13-24)26-20(4)33-25(19(3)34-26)21-6-10-23(11-7-21)27-29-14-5-15-30-27;17-15(18,19)10-1-2-13(23-8-10)26-5-3-12(4-6-26)27-14-7-11(9-24-25-14)16(20,21)22/h5-16H,1-4H3;1-2,7-9,12H,3-6H2
InChIKeyYCHGVYCBZVRLNI-UHFFFAOYSA-N
XLogP9.92
TPSA128.48 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500836.85
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine with MolForge

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Related Compounds

N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)oxy]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66551309
US11247990, Example 261
CID 138715255
US11168090, Example 59
CID 135241378
6-(3-Piperidin-1-ylpropoxy)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 57650898
6-(1-Methylpiperidin-3-yl)oxy-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 57650984
2-(1,1,2,2,2-pentafluoroethyl)-6-[(E)-prop-1-enyl]-3-[4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]oxyphenyl]imidazo[4,5-b]pyridine
CID 57986241
2-(1,1,2,2,2-Pentafluoroethyl)-6-propyl-3-[4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]oxyphenyl]imidazo[4,5-b]pyridine
CID 57986260
3-[6-[3-(dimethylamino)propoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 58645588
3-[6-ethoxy-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 58645626
3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 58645768
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 59507539
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-yl]pyrimidin-4-amine
CID 59507655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine (CID 143918022) is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine is Cc1cc(C)nc(-c2ccc(-c3nc(C)c(-c4ccc(-c5ncccn5)cc4)nc3C)cc2)n1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)cnn3)CC2)nc1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine?
The InChIKey is YCHGVYCBZVRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6.C16H14F6N4O/c1-17-16-18(2)32-28(31-17)24-12-8-22(9-13-24)26-20(4)33-25(19(3)34-26)21-6-10-23(11-7-21)27-29-14-5-15-30-27;17-15(18,19)10-1-2-13(23-8-10)26-5-3-12(4-6-26)27-14-7-11(9-24-25-14)16(20,21)22/h5-16H,1-4H3;1-2,7-9,12H,3-6H2.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine?
2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine has a molecular weight of 836.85 g/mol, XLogP of 9.92, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine is sourced from PubChem (CID 143918022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).