2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one

C26H31F2N3O4 — CID 150678315

IUPAC2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one
SMILESCCCCC(=O)c1ccc(C(N)N2N=C(c3ccc(OC)c(OC(F)F)c3)C(CC)CC2=O)cc1
InChIInChI=1S/C26H31F2N3O4/c1-4-6-7-20(32)17-8-10-18(11-9-17)25(29)31-23(33)15-16(5-2)24(30-31)19-12-13-21(34-3)22(14-19)35-26(27)28/h8-14,16,25-26H,4-7,15,29H2,1-3H3
InChIKeyJHIPXLFDBPINLP-UHFFFAOYSA-N
MW487.55 g/mol
LogP5.29
Rot. Bonds11

About 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one

2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one (PubChem CID 150678315) has the molecular formula C26H31F2N3O4 and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one
PubChem CID150678315
Molecular FormulaC26H31F2N3O4
Molecular Weight487.55 g/mol
Exact Mass487.23
IUPAC Name2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one
SMILESCCCCC(=O)c1ccc(C(N)N2N=C(c3ccc(OC)c(OC(F)F)c3)C(CC)CC2=O)cc1
InChIInChI=1S/C26H31F2N3O4/c1-4-6-7-20(32)17-8-10-18(11-9-17)25(29)31-23(33)15-16(5-2)24(30-31)19-12-13-21(34-3)22(14-19)35-26(27)28/h8-14,16,25-26H,4-7,15,29H2,1-3H3
InChIKeyJHIPXLFDBPINLP-UHFFFAOYSA-N
XLogP5.29
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-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

3-[amino-[4-(pyridine-4-carbonyl)phenyl]methyl]-5-[3-(difluoromethoxy)-4-methoxyphenyl]-6-ethyl-6H-1,3,4-thiadiazin-2-one
CID 151436088
N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
CID 18623463
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623412
3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one
CID 18623396
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pentanamide
CID 18623507
N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54345414
6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623506
methyl 4-[amino-[5-ethyl-3-formyl-6-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]methyl]benzoate
CID 174378362
N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide
CID 54386868
2-[amino-[4-(2-methylpropanoyl)phenyl]methyl]-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-4,5-dihydro-3H-pyridazine-3-carbaldehyde
CID 174377130
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
N-cyclopentyl-4-[[3-(3-ethoxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
CID 18623553

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one (CID 150678315) is 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one is CCCCC(=O)c1ccc(C(N)N2N=C(c3ccc(OC)c(OC(F)F)c3)C(CC)CC2=O)cc1.
What is the InChIKey of 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one?
The InChIKey is JHIPXLFDBPINLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O4/c1-4-6-7-20(32)17-8-10-18(11-9-17)25(29)31-23(33)15-16(5-2)24(30-31)19-12-13-21(34-3)22(14-19)35-26(27)28/h8-14,16,25-26H,4-7,15,29H2,1-3H3.
What are the key properties of 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one?
2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one has a molecular weight of 487.55 g/mol, XLogP of 5.29, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 150678315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).