4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C20H20N4O2 — CID 134805106

IUPAC4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ncccc1-c1nc(-c2c(C)noc2C)cc2c1cc(C)n2C
InChIInChI=1S/C20H20N4O2/c1-11-9-15-17(24(11)4)10-16(18-12(2)23-26-13(18)3)22-19(15)14-7-6-8-21-20(14)25-5/h6-10H,1-5H3
InChIKeyNSERAOOCGSJMOM-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.22
Rot. Bonds3

About 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134805106) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134805106
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ncccc1-c1nc(-c2c(C)noc2C)cc2c1cc(C)n2C
InChIInChI=1S/C20H20N4O2/c1-11-9-15-17(24(11)4)10-16(18-12(2)23-26-13(18)3)22-19(15)14-7-6-8-21-20(14)25-5/h6-10H,1-5H3
InChIKeyNSERAOOCGSJMOM-UHFFFAOYSA-N
XLogP4.22
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134809472
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
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
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
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)-2-methylfuro[2,3-c]pyridine
CID 134806067
5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione
CID 154778624
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 110135453
7-chloro-2-(2-methoxy-3-pyridinyl)-3-methylimidazo[1,2-a]pyridine
CID 145017660
4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 158037863
4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962939

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134805106) is 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ncccc1-c1nc(-c2c(C)noc2C)cc2c1cc(C)n2C.
What is the InChIKey of 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NSERAOOCGSJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-11-9-15-17(24(11)4)10-16(18-12(2)23-26-13(18)3)22-19(15)14-7-6-8-21-20(14)25-5/h6-10H,1-5H3.
What are the key properties of 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 348.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134805106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).