4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one

C26H23F3N4O2 — CID 143463222

IUPAC4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCc1cc(-c2cc(C)c(=O)n(-c3cc(N4CCCC4)ccc3C(F)(F)F)n2)cc(-c2cnco2)c1
InChIInChI=1S/C26H23F3N4O2/c1-16-9-18(12-19(10-16)24-14-30-15-35-24)22-11-17(2)25(34)33(31-22)23-13-20(32-7-3-4-8-32)5-6-21(23)26(27,28)29/h5-6,9-15H,3-4,7-8H2,1-2H3
InChIKeyOXYAHNGFQLPFDP-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.79
Rot. Bonds4

About 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one

4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one (PubChem CID 143463222) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one
PubChem CID143463222
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCc1cc(-c2cc(C)c(=O)n(-c3cc(N4CCCC4)ccc3C(F)(F)F)n2)cc(-c2cnco2)c1
InChIInChI=1S/C26H23F3N4O2/c1-16-9-18(12-19(10-16)24-14-30-15-35-24)22-11-17(2)25(34)33(31-22)23-13-20(32-7-3-4-8-32)5-6-21(23)26(27,28)29/h5-6,9-15H,3-4,7-8H2,1-2H3
InChIKeyOXYAHNGFQLPFDP-UHFFFAOYSA-N
XLogP5.79
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-4-piperidin-1-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one
CID 143463062
4-ethyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one;propane
CID 143462952
3-methyl-5-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-7-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-one
CID 143463168
2-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-4-(propan-2-ylamino)pyridazin-3-one
CID 69162514
4-(ethylamino)-2-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyridazin-3-one
CID 44512245
7-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-5-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]pyrido[2,3-d]pyridazin-8-one
CID 69162380
3-(ethylamino)-5-[3-ethyl-5-(1,3-oxazol-5-yl)phenyl]-1-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridin-2-one
CID 143463170
4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one
CID 143463387
5-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-7-(2-methylsulfonyl-5-piperazin-1-ylphenyl)pyrido[2,3-d]pyridazin-8-one
CID 69161621
1-[3-[(Z)-1-hydroxy-2-(iodoamino)ethenyl]-5-methylphenyl]-6,6-dimethyl-3-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-5,7-dihydrocyclopenta[d]pyridazin-4-one
CID 89246568
1-ethyl-4-(5-methoxy-3-pyridinyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-d]pyridazin-7-one
CID 143463249
2-(2,6-dimethylphenyl)-4-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]phthalazin-1-one
CID 151325595

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one?
The IUPAC name of 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one (CID 143463222) is 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one is Cc1cc(-c2cc(C)c(=O)n(-c3cc(N4CCCC4)ccc3C(F)(F)F)n2)cc(-c2cnco2)c1.
What is the InChIKey of 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one?
The InChIKey is OXYAHNGFQLPFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-16-9-18(12-19(10-16)24-14-30-15-35-24)22-11-17(2)25(34)33(31-22)23-13-20(32-7-3-4-8-32)5-6-21(23)26(27,28)29/h5-6,9-15H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one?
4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one has a molecular weight of 480.49 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 143463222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).