ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole

C25H36N4O — CID 157132633

IUPACethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole
SMILESCC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C13H16N2O.C8H8N2.2C2H6/c1-10-5-6-12-11(8-10)9-14-15(12)13-4-2-3-7-16-13;1-6-2-3-8-7(4-6)5-9-10-8;2*1-2/h5-6,8-9,13H,2-4,7H2,1H3;2-5H,1H3,(H,9,10);2*1-2H3
InChIKeyAJGFNSLYJUMTLW-UHFFFAOYSA-N
MW408.59 g/mol
LogP6.97
Rot. Bonds1

About ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole

ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole (PubChem CID 157132633) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Nameethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole
PubChem CID157132633
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Nameethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole
SMILESCC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C13H16N2O.C8H8N2.2C2H6/c1-10-5-6-12-11(8-10)9-14-15(12)13-4-2-3-7-16-13;1-6-2-3-8-7(4-6)5-9-10-8;2*1-2/h5-6,8-9,13H,2-4,7H2,1H3;2-5H,1H3,(H,9,10);2*1-2H3
InChIKeyAJGFNSLYJUMTLW-UHFFFAOYSA-N
XLogP6.97
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole
CID 164620370
5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole
CID 25164272
5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazole
CID 25164882
5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole
CID 25164884
5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole
CID 25165084
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
CID 44118233
5-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-1H-indazole
CID 54583635
2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane
CID 166490665
1-(Oxan-2-yl)-1H-indazol-4-amine
CID 44118232

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole?
The IUPAC name of ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole (CID 157132633) is ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole?
The canonical SMILES for ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole is CC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole?
The InChIKey is AJGFNSLYJUMTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C8H8N2.2C2H6/c1-10-5-6-12-11(8-10)9-14-15(12)13-4-2-3-7-16-13;1-6-2-3-8-7(4-6)5-9-10-8;2*1-2/h5-6,8-9,13H,2-4,7H2,1H3;2-5H,1H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole?
ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole has a molecular weight of 408.59 g/mol, XLogP of 6.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-indazole;5-methyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 157132633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).