4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one

C25H25F3N4O — CID 143463387

IUPAC4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one
SMILESCc1cc(C)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1
InChIInChI=1S/C25H25F3N4O/c1-15-11-16(2)13-17(12-15)22-19-7-8-29-23(19)24(33)32(30-22)21-14-18(31-9-3-4-10-31)5-6-20(21)25(26,27)28/h5-6,11-14,29H,3-4,7-10H2,1-2H3
InChIKeyTYELMGIODCEHRV-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.10
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one

4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one (PubChem CID 143463387) has the molecular formula C25H25F3N4O and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one
PubChem CID143463387
Molecular FormulaC25H25F3N4O
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one
SMILESCc1cc(C)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1
InChIInChI=1S/C25H25F3N4O/c1-15-11-16(2)13-17(12-15)22-19-7-8-29-23(19)24(33)32(30-22)21-14-18(31-9-3-4-10-31)5-6-20(21)25(26,27)28/h5-6,11-14,29H,3-4,7-10H2,1-2H3
InChIKeyTYELMGIODCEHRV-UHFFFAOYSA-N
XLogP5.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(3,5-dimethylphenyl)-6-[5-(3-hydroxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-7-oxo-2,3-dihydropyrrolo[2,3-d]pyridazine-1-carboxamide
CID 69161356
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
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
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
carbamoyl 4-[3-[1-(3,5-dimethoxyphenyl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyridazin-3-yl]-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 91093599
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-[6-[5-(3-acetamidopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-4-(3,5-dimethylphenyl)-7-oxo-2,3-dihydropyrrolo[2,3-d]pyridazin-1-yl]acetic acid
CID 69162662
1-(4-fluorophenyl)-3-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 69161318
3-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 87717907
1-(3,5-dimethoxyphenyl)-3-(2-methyl-5-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 71069754

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one?
The IUPAC name of 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) is 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one?
The canonical SMILES for 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one is Cc1cc(C)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one?
The InChIKey is TYELMGIODCEHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O/c1-15-11-16(2)13-17(12-15)22-19-7-8-29-23(19)24(33)32(30-22)21-14-18(31-9-3-4-10-31)5-6-20(21)25(26,27)28/h5-6,11-14,29H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one?
4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one has a molecular weight of 454.50 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-6-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-d]pyridazin-7-one is sourced from PubChem (CID 143463387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).