5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C24H24N4O3 — CID 155542649

IUPAC5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2C[C@H]3COC[C@H]3C2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N4O3/c29-24(27-20-8-9-25-26-11-20)22-10-21(28-12-18-15-30-16-19(18)13-28)6-7-23(22)31-14-17-4-2-1-3-5-17/h1-11,18-19H,12-16H2,(H,25,27,29)/t18-,19+
InChIKeyQFWJTAWHWVJZRW-KDURUIRLSA-N
MW416.48 g/mol
LogP3.39
Rot. Bonds6

About 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155542649) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155542649
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2C[C@H]3COC[C@H]3C2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N4O3/c29-24(27-20-8-9-25-26-11-20)22-10-21(28-12-18-15-30-16-19(18)13-28)6-7-23(22)31-14-17-4-2-1-3-5-17/h1-11,18-19H,12-16H2,(H,25,27,29)/t18-,19+
InChIKeyQFWJTAWHWVJZRW-KDURUIRLSA-N
XLogP3.39
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide 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

Temanogrel
CID 25177971
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-4-trifluoromethyl-benzamide
CID 11503810
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 11698617
1-(3-acetylphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486697
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
4-{2-[4-(3-Methoxy-benzoylamino)-2-(2-methyl-2H-pyrazol-3-yl)-phenoxy]-ethyl}-piperazine-1-carboxylicAcid Amide
CID 46833373

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155542649) is 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2C[C@H]3COC[C@H]3C2)ccc1OCc1ccccc1.
What is the InChIKey of 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is QFWJTAWHWVJZRW-KDURUIRLSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-24(27-20-8-9-25-26-11-20)22-10-21(28-12-18-15-30-16-19(18)13-28)6-7-23(22)31-14-17-4-2-1-3-5-17/h1-11,18-19H,12-16H2,(H,25,27,29)/t18-,19+.
What are the key properties of 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155542649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).