(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone

C26H26N2O2 — CID 170857790

IUPAC(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone
SMILESCCc1ccc(C(=O)c2nn(CC3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-2-19-11-12-22(21-8-4-3-7-20(19)21)26(29)25-23-9-5-6-10-24(23)28(27-25)17-18-13-15-30-16-14-18/h3-12,18H,2,13-17H2,1H3
InChIKeyGMIZCHDRJXDXOD-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.41
Rot. Bonds5

About (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone

(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone (PubChem CID 170857790) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone
PubChem CID170857790
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone
SMILESCCc1ccc(C(=O)c2nn(CC3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-2-19-11-12-22(21-8-4-3-7-20(19)21)26(29)25-23-9-5-6-10-24(23)28(27-25)17-18-13-15-30-16-14-18/h3-12,18H,2,13-17H2,1H3
InChIKeyGMIZCHDRJXDXOD-UHFFFAOYSA-N
XLogP5.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68894629
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68893852
(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 170857562
1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
CID 103124360
ethyl 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]-[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylate
CID 91390067
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
CID 167312295
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
3-[2-[[3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 70969804
ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate
CID 141412078
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 121491668

Frequently Asked Questions

What is the IUPAC name of (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone?
The IUPAC name of (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone (CID 170857790) is (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone.
What is the SMILES notation for (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone?
The canonical SMILES for (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone is CCc1ccc(C(=O)c2nn(CC3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone?
The InChIKey is GMIZCHDRJXDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-19-11-12-22(21-8-4-3-7-20(19)21)26(29)25-23-9-5-6-10-24(23)28(27-25)17-18-13-15-30-16-14-18/h3-12,18H,2,13-17H2,1H3.
What are the key properties of (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone?
(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone is sourced from PubChem (CID 170857790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).