[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate

C26H25Cl2N5O6 — CID 146402586

IUPAC[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCOc1ccc(Cn2nc(Cc3c(Cl)cc(OC(=O)NCc4noc(=O)[nH]4)cc3Cl)cc(C(C)C)c2=O)cc1
InChIInChI=1S/C26H25Cl2N5O6/c1-14(2)19-8-16(31-33(24(19)34)13-15-4-6-17(37-3)7-5-15)9-20-21(27)10-18(11-22(20)28)38-25(35)29-12-23-30-26(36)39-32-23/h4-8,10-11,14H,9,12-13H2,1-3H3,(H,29,35)(H,30,32,36)
InChIKeySCCKNIKYAWFFSE-UHFFFAOYSA-N
MW574.42 g/mol
LogP4.29
Rot. Bonds9

About [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate

[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate (PubChem CID 146402586) has the molecular formula C26H25Cl2N5O6 and a molecular weight of 574.42 g/mol. Its IUPAC name is [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Name[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
PubChem CID146402586
Molecular FormulaC26H25Cl2N5O6
Molecular Weight574.42 g/mol
Exact Mass573.12
IUPAC Name[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCOc1ccc(Cn2nc(Cc3c(Cl)cc(OC(=O)NCc4noc(=O)[nH]4)cc3Cl)cc(C(C)C)c2=O)cc1
InChIInChI=1S/C26H25Cl2N5O6/c1-14(2)19-8-16(31-33(24(19)34)13-15-4-6-17(37-3)7-5-15)9-20-21(27)10-18(11-22(20)28)38-25(35)29-12-23-30-26(36)39-32-23/h4-8,10-11,14H,9,12-13H2,1-3H3,(H,29,35)(H,30,32,36)
InChIKeySCCKNIKYAWFFSE-UHFFFAOYSA-N
XLogP4.29
TPSA141.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate with MolForge

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Related Compounds

6-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl]-2H-1,2,4-triazine-3,5-dione
CID 146473522
3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
CID 146402657
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 137282988
tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 137280112
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 86715312
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46639941
methyl 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]acetate
CID 59834440
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
CID 158706491

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The IUPAC name of [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate (CID 146402586) is [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate.
What is the SMILES notation for [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The canonical SMILES for [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate is COc1ccc(Cn2nc(Cc3c(Cl)cc(OC(=O)NCc4noc(=O)[nH]4)cc3Cl)cc(C(C)C)c2=O)cc1.
What is the InChIKey of [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The InChIKey is SCCKNIKYAWFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O6/c1-14(2)19-8-16(31-33(24(19)34)13-15-4-6-17(37-3)7-5-15)9-20-21(27)10-18(11-22(20)28)38-25(35)29-12-23-30-26(36)39-32-23/h4-8,10-11,14H,9,12-13H2,1-3H3,(H,29,35)(H,30,32,36).
What are the key properties of [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate has a molecular weight of 574.42 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-propan-2-ylpyridazin-3-yl]methyl]phenyl] N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate is sourced from PubChem (CID 146402586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).