N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C24H25N3O5 — CID 125432017

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)n2)cc1
InChIInChI=1S/C24H25N3O5/c1-30-17-7-4-15(5-8-17)19-10-11-24(29)27(26-19)14-23(28)25-20-9-6-16-12-21(31-2)22(32-3)13-18(16)20/h4-5,7-8,10-13,20H,6,9,14H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyRFIFEWSAFWBPFS-FQEVSTJZSA-N
MW435.48 g/mol
LogP2.74
Rot. Bonds7

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 125432017) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID125432017
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)n2)cc1
InChIInChI=1S/C24H25N3O5/c1-30-17-7-4-15(5-8-17)19-10-11-24(29)27(26-19)14-23(28)25-20-9-6-16-12-21(31-2)22(32-3)13-18(16)20/h4-5,7-8,10-13,20H,6,9,14H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyRFIFEWSAFWBPFS-FQEVSTJZSA-N
XLogP2.74
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431726
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431725
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
CID 125432031
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 51044533
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7659824
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 121050192
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid
CID 51053004
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
N-(1,4-dioxan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 24981337
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 125432017) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)n2)cc1.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RFIFEWSAFWBPFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-30-17-7-4-15(5-8-17)19-10-11-24(29)27(26-19)14-23(28)25-20-9-6-16-12-21(31-2)22(32-3)13-18(16)20/h4-5,7-8,10-13,20H,6,9,14H2,1-3H3,(H,25,28)/t20-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 125432017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).