N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide

C23H22N4O5 — CID 136768488

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
SMILESCOCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22N4O5/c1-30-13-16-21(14-5-3-2-4-6-14)22-25-23(29)17(27(22)26-16)12-20(28)24-15-7-8-18-19(11-15)32-10-9-31-18/h2-8,11,17H,9-10,12-13H2,1H3,(H,24,28)(H,25,29)/t17-/m1/s1
InChIKeyDAPTZHGJZZUVKN-QGZVFWFLSA-N
MW434.45 g/mol
LogP2.99
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide (PubChem CID 136768488) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
PubChem CID136768488
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
SMILESCOCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22N4O5/c1-30-13-16-21(14-5-3-2-4-6-14)22-25-23(29)17(27(22)26-16)12-20(28)24-15-7-8-18-19(11-15)32-10-9-31-18/h2-8,11,17H,9-10,12-13H2,1H3,(H,24,28)(H,25,29)/t17-/m1/s1
InChIKeyDAPTZHGJZZUVKN-QGZVFWFLSA-N
XLogP2.99
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide 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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650071
N-(3,4-difluorophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135658690
2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
CID 136728314
N-(1,3-benzodioxol-5-yl)-2-[(6S)-2-methylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135924978
N-(4-methylphenyl)-2-[(3R)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136826173
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
CID 110698561
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 30465582
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 18569095
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide (CID 136768488) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide is COCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
The InChIKey is DAPTZHGJZZUVKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-30-13-16-21(14-5-3-2-4-6-14)22-25-23(29)17(27(22)26-16)12-20(28)24-15-7-8-18-19(11-15)32-10-9-31-18/h2-8,11,17H,9-10,12-13H2,1H3,(H,24,28)(H,25,29)/t17-/m1/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide has a molecular weight of 434.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide is sourced from PubChem (CID 136768488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).