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

C25H30N4O3 — CID 134807381

IUPAC2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)cc1OC
InChIInChI=1S/C25H30N4O3/c1-15-12-19-21(29(15)11-10-28(4)5)14-20(24-16(2)27-32-17(24)3)26-25(19)18-8-9-22(30-6)23(13-18)31-7/h8-9,12-14H,10-11H2,1-7H3
InChIKeyWRFDPEGJJOPYQD-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.86
Rot. Bonds7

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

2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 134807381) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID134807381
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)cc1OC
InChIInChI=1S/C25H30N4O3/c1-15-12-19-21(29(15)11-10-28(4)5)14-20(24-16(2)27-32-17(24)3)26-25(19)18-8-9-22(30-6)23(13-18)31-7/h8-9,12-14H,10-11H2,1-7H3
InChIKeyWRFDPEGJJOPYQD-UHFFFAOYSA-N
XLogP4.86
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol
CID 134806793
4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134809472
N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethylpyrrolo[3,2-c]pyridin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 134807385
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
2-bromo-1-[3-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741261
4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
CID 121494736
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)-2-methylfuro[2,3-c]pyridine
CID 134806067
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methylpropan-2-amine
CID 163526880
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile
CID 11581954
3-(3,4-dimethoxyphenyl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 115390850

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine (CID 134807381) is 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is COc1ccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3CCN(C)C)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is WRFDPEGJJOPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-15-12-19-21(29(15)11-10-28(4)5)14-20(24-16(2)27-32-17(24)3)26-25(19)18-8-9-22(30-6)23(13-18)31-7/h8-9,12-14H,10-11H2,1-7H3.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine?
2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 434.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134807381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).