ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine

C20H28N2O2 — CID 144894366

IUPACethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
SMILESCC.Cc1c[nH]c2nccc(OC(C)C)c12.Cc1ccc(O)cc1
InChIInChI=1S/C11H14N2O.C7H8O.C2H6/c1-7(2)14-9-4-5-12-11-10(9)8(3)6-13-11;1-6-2-4-7(8)5-3-6;1-2/h4-7H,1-3H3,(H,12,13);2-5,8H,1H3;1-2H3
InChIKeyRVQCZFPIGYKOOO-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.39
Rot. Bonds2

About ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine

ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 144894366) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID144894366
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nameethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
SMILESCC.Cc1c[nH]c2nccc(OC(C)C)c12.Cc1ccc(O)cc1
InChIInChI=1S/C11H14N2O.C7H8O.C2H6/c1-7(2)14-9-4-5-12-11-10(9)8(3)6-13-11;1-6-2-4-7(8)5-3-6;1-2/h4-7H,1-3H3,(H,12,13);2-5,8H,1H3;1-2H3
InChIKeyRVQCZFPIGYKOOO-UHFFFAOYSA-N
XLogP5.39
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine 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

3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
CID 24801016
2-[2-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethylidene]propanedinitrile
CID 118267371
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009
ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 145441189
(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide
CID 118267780
4-methylphenol;2-methylpropane
CID 91606636
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
chromium;bis(4-methylphenol);chloride
CID 172752271
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818
3-methyl-4-(4-piperazin-2-ylphenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 155386650
ethane;4-propan-2-yloxyphenol
CID 142348653

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine (CID 144894366) is ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine is CC.Cc1c[nH]c2nccc(OC(C)C)c12.Cc1ccc(O)cc1.
What is the InChIKey of ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RVQCZFPIGYKOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C7H8O.C2H6/c1-7(2)14-9-4-5-12-11-10(9)8(3)6-13-11;1-6-2-4-7(8)5-3-6;1-2/h4-7H,1-3H3,(H,12,13);2-5,8H,1H3;1-2H3.
What are the key properties of ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 328.46 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 144894366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).