3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one

C22H24N4O3 — CID 142573886

IUPAC3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one
SMILESCCn1ncc2ccc(-c3ccc(C(=O)N4CCNC(=O)CCOC4)cc3)cc21
InChIInChI=1S/C22H24N4O3/c1-2-26-20-13-18(7-8-19(20)14-24-26)16-3-5-17(6-4-16)22(28)25-11-10-23-21(27)9-12-29-15-25/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,27)
InChIKeyXLOPVYPFLSCTEL-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.66
Rot. Bonds3

About 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one

3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one (PubChem CID 142573886) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one.

Molecular Properties

Compound Name3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one
PubChem CID142573886
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one
SMILESCCn1ncc2ccc(-c3ccc(C(=O)N4CCNC(=O)CCOC4)cc3)cc21
InChIInChI=1S/C22H24N4O3/c1-2-26-20-13-18(7-8-19(20)14-24-26)16-3-5-17(6-4-16)22(28)25-11-10-23-21(27)9-12-29-15-25/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,27)
InChIKeyXLOPVYPFLSCTEL-UHFFFAOYSA-N
XLogP2.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide
CID 142573869
[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone
CID 53012811
[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
CID 158682998
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-[1-(cyclobutylmethyl)indazol-6-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621502
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one
CID 175643089
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628
1-(4-aminobenzoyl)-1,4-diazepan-5-one
CID 63003560
1-[4-(4-isoquinolin-6-ylbenzoyl)piperazin-1-yl]ethanone
CID 86267920
1-[4-(4-isoquinolin-6-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 86268139
4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one
CID 172656930

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one?
The IUPAC name of 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one (CID 142573886) is 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one.
What is the SMILES notation for 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one?
The canonical SMILES for 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one is CCn1ncc2ccc(-c3ccc(C(=O)N4CCNC(=O)CCOC4)cc3)cc21.
What is the InChIKey of 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one?
The InChIKey is XLOPVYPFLSCTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-26-20-13-18(7-8-19(20)14-24-26)16-3-5-17(6-4-16)22(28)25-11-10-23-21(27)9-12-29-15-25/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,27).
What are the key properties of 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one?
3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one has a molecular weight of 392.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one is sourced from PubChem (CID 142573886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).