N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide

C27H31F2N3O4 — CID 18623463

IUPACN-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
SMILESCCC1CC(=O)N(Cc2ccc(C(=O)NC3CCCC3)cc2)N=C1c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C27H31F2N3O4/c1-3-18-15-24(33)32(31-25(18)20-12-13-22(35-2)23(14-20)36-27(28)29)16-17-8-10-19(11-9-17)26(34)30-21-6-4-5-7-21/h8-14,18,21,27H,3-7,15-16H2,1-2H3,(H,30,34)
InChIKeyVLVXGMUYDSKVKD-UHFFFAOYSA-N
MW499.56 g/mol
LogP5.13
Rot. Bonds9

About N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide

N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide (PubChem CID 18623463) has the molecular formula C27H31F2N3O4 and a molecular weight of 499.56 g/mol. Its IUPAC name is N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
PubChem CID18623463
Molecular FormulaC27H31F2N3O4
Molecular Weight499.56 g/mol
Exact Mass499.23
IUPAC NameN-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
SMILESCCC1CC(=O)N(Cc2ccc(C(=O)NC3CCCC3)cc2)N=C1c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C27H31F2N3O4/c1-3-18-15-24(33)32(31-25(18)20-12-13-22(35-2)23(14-20)36-27(28)29)16-17-8-10-19(11-9-17)26(34)30-21-6-4-5-7-21/h8-14,18,21,27H,3-7,15-16H2,1-2H3,(H,30,34)
InChIKeyVLVXGMUYDSKVKD-UHFFFAOYSA-N
XLogP5.13
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[[3-(3-ethoxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
CID 18623553
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623412
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
N-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623582
N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
CID 54321574
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
2-[amino-(4-pentanoylphenyl)methyl]-6-[3-(difluoromethoxy)-4-methoxyphenyl]-5-ethyl-4,5-dihydropyridazin-3-one
CID 150678315
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pentanamide
CID 18623507
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetyl chloride
CID 158765134
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54191312
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxamide
CID 54305880

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide (CID 18623463) is N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide is CCC1CC(=O)N(Cc2ccc(C(=O)NC3CCCC3)cc2)N=C1c1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide?
The InChIKey is VLVXGMUYDSKVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O4/c1-3-18-15-24(33)32(31-25(18)20-12-13-22(35-2)23(14-20)36-27(28)29)16-17-8-10-19(11-9-17)26(34)30-21-6-4-5-7-21/h8-14,18,21,27H,3-7,15-16H2,1-2H3,(H,30,34).
What are the key properties of N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide?
N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide has a molecular weight of 499.56 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide is sourced from PubChem (CID 18623463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).