N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide

C22H25N3O2 — CID 58899601

IUPACN-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide
SMILESCCNC(=O)c1cc(C)c(C)c(-c2ccc3c(C4CCOC4)[nH]nc3c2)c1
InChIInChI=1S/C22H25N3O2/c1-4-23-22(26)17-9-13(2)14(3)19(10-17)15-5-6-18-20(11-15)24-25-21(18)16-7-8-27-12-16/h5-6,9-11,16H,4,7-8,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyRFWQJHWLPJTSLR-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.10
Rot. Bonds4

About N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide

N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide (PubChem CID 58899601) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide
PubChem CID58899601
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide
SMILESCCNC(=O)c1cc(C)c(C)c(-c2ccc3c(C4CCOC4)[nH]nc3c2)c1
InChIInChI=1S/C22H25N3O2/c1-4-23-22(26)17-9-13(2)14(3)19(10-17)15-5-6-18-20(11-15)24-25-21(18)16-7-8-27-12-16/h5-6,9-11,16H,4,7-8,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyRFWQJHWLPJTSLR-UHFFFAOYSA-N
XLogP4.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,4-dimethyl-5-(3-piperidin-4-yl-2H-indazol-6-yl)benzamide;N-ethyl-4-[6-[5-(ethylcarbamoyl)-2,3-dimethylphenyl]-2H-indazol-3-yl]piperidine-1-carboxamide;isocyanatoethane
CID 161058074
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589
N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane
CID 91134825
tert-butyl 4-[6-[5-(ethylcarbamoyl)-2,3-dimethylphenyl]-1H-indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-ethyl-3-(1H-indazol-6-yl)-4,5-dimethylbenzamide;N-ethyl-3-(3-iodo-2H-indazol-6-yl)-4,5-dimethylbenzamide
CID 91120523
N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide
CID 58919729
3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide
CID 11501649
5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide
CID 75444541
N-[4-(ethylcarbamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119714110
4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
CID 86221983
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194
N-(1-methylsulfanylbutan-2-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129001193
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide?
The IUPAC name of N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide (CID 58899601) is N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide.
What is the SMILES notation for N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide?
The canonical SMILES for N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide is CCNC(=O)c1cc(C)c(C)c(-c2ccc3c(C4CCOC4)[nH]nc3c2)c1.
What is the InChIKey of N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide?
The InChIKey is RFWQJHWLPJTSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-23-22(26)17-9-13(2)14(3)19(10-17)15-5-6-18-20(11-15)24-25-21(18)16-7-8-27-12-16/h5-6,9-11,16H,4,7-8,12H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide?
N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide is sourced from PubChem (CID 58899601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).