1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one

C30H33N7O2 — CID 68944919

IUPAC1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCOc2ccc3cc(-c4n[nH]c5ccc(-c6ncn(CC(C)(C)C)n6)cc45)ccc3c2)C1=O
InChIInChI=1S/C30H33N7O2/c1-30(2,3)18-37-19-31-28(34-37)23-8-10-26-25(17-23)27(33-32-26)22-6-5-21-16-24(9-7-20(21)15-22)39-14-13-36-12-11-35(4)29(36)38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H,32,33)
InChIKeyHDNMFGVAYJXNEA-UHFFFAOYSA-N
MW523.64 g/mol
LogP5.43
Rot. Bonds7

About 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one

1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one (PubChem CID 68944919) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one
PubChem CID68944919
Molecular FormulaC30H33N7O2
Molecular Weight523.64 g/mol
Exact Mass523.27
IUPAC Name1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCOc2ccc3cc(-c4n[nH]c5ccc(-c6ncn(CC(C)(C)C)n6)cc45)ccc3c2)C1=O
InChIInChI=1S/C30H33N7O2/c1-30(2,3)18-37-19-31-28(34-37)23-8-10-26-25(17-23)27(33-32-26)22-6-5-21-16-24(9-7-20(21)15-22)39-14-13-36-12-11-35(4)29(36)38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H,32,33)
InChIKeyHDNMFGVAYJXNEA-UHFFFAOYSA-N
XLogP5.43
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one (CID 68944919) is 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one is CN1CCN(CCOc2ccc3cc(-c4n[nH]c5ccc(-c6ncn(CC(C)(C)C)n6)cc45)ccc3c2)C1=O.
What is the InChIKey of 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one?
The InChIKey is HDNMFGVAYJXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-30(2,3)18-37-19-31-28(34-37)23-8-10-26-25(17-23)27(33-32-26)22-6-5-21-16-24(9-7-20(21)15-22)39-14-13-36-12-11-35(4)29(36)38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H,32,33).
What are the key properties of 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one?
1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one has a molecular weight of 523.64 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[5-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]-1H-indazol-3-yl]naphthalen-2-yl]oxyethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 68944919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).