ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate

C28H40N2O4 — CID 166472245

IUPACethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
SMILESCC.COC(=O)c1cc2cn(C3CCCCC3)nc2cc1OC(C)C.COCc1ccccc1
InChIInChI=1S/C18H24N2O3.C8H10O.C2H6/c1-12(2)23-17-10-16-13(9-15(17)18(21)22-3)11-20(19-16)14-7-5-4-6-8-14;1-9-7-8-5-3-2-4-6-8;1-2/h9-12,14H,4-8H2,1-3H3;2-6H,7H2,1H3;1-2H3
InChIKeyBUHXDLBIKYLKMK-UHFFFAOYSA-N
MW468.64 g/mol
LogP6.97
Rot. Bonds6

About ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate

ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate (PubChem CID 166472245) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate.

Molecular Properties

Compound Nameethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
PubChem CID166472245
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Nameethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
SMILESCC.COC(=O)c1cc2cn(C3CCCCC3)nc2cc1OC(C)C.COCc1ccccc1
InChIInChI=1S/C18H24N2O3.C8H10O.C2H6/c1-12(2)23-17-10-16-13(9-15(17)18(21)22-3)11-20(19-16)14-7-5-4-6-8-14;1-9-7-8-5-3-2-4-6-8;1-2/h9-12,14H,4-8H2,1-3H3;2-6H,7H2,1H3;1-2H3
InChIKeyBUHXDLBIKYLKMK-UHFFFAOYSA-N
XLogP6.97
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate 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

1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-carboxylic acid
CID 44138105
1-[2-Oxo-3-(4-phenoxyphenoxy)propyl]indazole-5-carboxylic acid
CID 162643582
N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 169132465
US20240300923, Example 20
CID 169132490
Irak4-IN-30
CID 170227690
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
Methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate
CID 171346145
3-(1-Methylindazol-5-yl)-4-phenylmethoxybenzamide
CID 172459077
1-[4-(Difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)quinolin-2-one
CID 172469780
N-(1-methyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 177372733
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
CID 177372736
N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 177372737

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate?
The IUPAC name of ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate (CID 166472245) is ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate.
What is the SMILES notation for ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate?
The canonical SMILES for ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate is CC.COC(=O)c1cc2cn(C3CCCCC3)nc2cc1OC(C)C.COCc1ccccc1.
What is the InChIKey of ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate?
The InChIKey is BUHXDLBIKYLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.C8H10O.C2H6/c1-12(2)23-17-10-16-13(9-15(17)18(21)22-3)11-20(19-16)14-7-5-4-6-8-14;1-9-7-8-5-3-2-4-6-8;1-2/h9-12,14H,4-8H2,1-3H3;2-6H,7H2,1H3;1-2H3.
What are the key properties of ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate?
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate has a molecular weight of 468.64 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate is sourced from PubChem (CID 166472245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).