[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid

C27H35N3O6 — CID 68796243

IUPAC[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid
SMILESCCOc1cc(C2=NN(C(=O)[C@H](Cc3ccc(OC(C)(C)C)cc3)NC(=O)O)CCC2)ccc1OC
InChIInChI=1S/C27H35N3O6/c1-6-35-24-17-19(11-14-23(24)34-5)21-8-7-15-30(29-21)25(31)22(28-26(32)33)16-18-9-12-20(13-10-18)36-27(2,3)4/h9-14,17,22,28H,6-8,15-16H2,1-5H3,(H,32,33)/t22-/m0/s1
InChIKeyQYBYTBDESLQPIY-QFIPXVFZSA-N
MW497.59 g/mol
LogP4.48
Rot. Bonds9

About [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid

[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid (PubChem CID 68796243) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid
PubChem CID68796243
Molecular FormulaC27H35N3O6
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Name[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid
SMILESCCOc1cc(C2=NN(C(=O)[C@H](Cc3ccc(OC(C)(C)C)cc3)NC(=O)O)CCC2)ccc1OC
InChIInChI=1S/C27H35N3O6/c1-6-35-24-17-19(11-14-23(24)34-5)21-8-7-15-30(29-21)25(31)22(28-26(32)33)16-18-9-12-20(13-10-18)36-27(2,3)4/h9-14,17,22,28H,6-8,15-16H2,1-5H3,(H,32,33)/t22-/m0/s1
InChIKeyQYBYTBDESLQPIY-QFIPXVFZSA-N
XLogP4.48
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid 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

tert-butyl N-[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 10075101
[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanone
CID 10163971
(4-aminophenyl)-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
CID 11394068
2-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]-3-fluorophenoxy]ethoxy]acetic acid
CID 59021406
azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)
CID 142838514
1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one
CID 59021452
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-4-[(4-nitrobenzoyl)amino]benzamide
CID 23433311
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
2-[[3-chloro-4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]diazenyl]propanedinitrile
CID 91568291
(2S)-2-(ethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 142706583
ethyl N-[4-[6-(3-methoxy-4-methylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate
CID 142045166

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid (CID 68796243) is [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid is CCOc1cc(C2=NN(C(=O)[C@H](Cc3ccc(OC(C)(C)C)cc3)NC(=O)O)CCC2)ccc1OC.
What is the InChIKey of [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is QYBYTBDESLQPIY-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-6-35-24-17-19(11-14-23(24)34-5)21-8-7-15-30(29-21)25(31)22(28-26(32)33)16-18-9-12-20(13-10-18)36-27(2,3)4/h9-14,17,22,28H,6-8,15-16H2,1-5H3,(H,32,33)/t22-/m0/s1.
What are the key properties of [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid?
[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 497.59 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 68796243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).