2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine

C24H28N4O2 — CID 134807623

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCOc1cccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)c1
InChIInChI=1S/C24H28N4O2/c1-15-12-20-22(28(15)11-10-27(4)5)14-21(23-16(2)26-30-17(23)3)25-24(20)18-8-7-9-19(13-18)29-6/h7-9,12-14H,10-11H2,1-6H3
InChIKeyLRIQNIVMIKIJNH-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.85
Rot. Bonds6

About 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 134807623) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID134807623
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCOc1cccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)c1
InChIInChI=1S/C24H28N4O2/c1-15-12-20-22(28(15)11-10-27(4)5)14-21(23-16(2)26-30-17(23)3)25-24(20)18-8-7-9-19(13-18)29-6/h7-9,12-14H,10-11H2,1-6H3
InChIKeyLRIQNIVMIKIJNH-UHFFFAOYSA-N
XLogP4.85
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (CID 134807623) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is COc1cccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)c1.
What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is LRIQNIVMIKIJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15-12-20-22(28(15)11-10-27(4)5)14-21(23-16(2)26-30-17(23)3)25-24(20)18-8-7-9-19(13-18)29-6/h7-9,12-14H,10-11H2,1-6H3.
What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 404.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-methoxyphenyl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134807623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).