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

C20H20N4O2 — CID 134809472

IUPAC4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3C)ccn1
InChIInChI=1S/C20H20N4O2/c1-11-8-15-17(24(11)4)10-16(19-12(2)23-26-13(19)3)22-20(15)14-6-7-21-18(9-14)25-5/h6-10H,1-5H3
InChIKeyFFOCFXRFQNTFCQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.22
Rot. Bonds3

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

4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134809472) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134809472
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3C)ccn1
InChIInChI=1S/C20H20N4O2/c1-11-8-15-17(24(11)4)10-16(19-12(2)23-26-13(19)3)22-20(15)14-6-7-21-18(9-14)25-5/h6-10H,1-5H3
InChIKeyFFOCFXRFQNTFCQ-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'}

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Related Compounds

4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805106
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)-2-methylfuro[2,3-c]pyridine
CID 134806067
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
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
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-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 31043479
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-thiophen-3-ylfuro[2,3-c]pyridine
CID 134807063
2-(methoxymethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-5-phenylimidazo[4,5-b]pyridine
CID 134806071
4-(2-ethoxy-4-pyridinyl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
CID 58659495
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417
2-[5-fluoro-4-(2-methoxy-4-pyridinyl)-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
CID 167518459

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134809472) is 4-[4-(2-methoxy-4-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-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1cc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3C)ccn1.
What is the InChIKey of 4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FFOCFXRFQNTFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-11-8-15-17(24(11)4)10-16(19-12(2)23-26-13(19)3)22-20(15)14-6-7-21-18(9-14)25-5/h6-10H,1-5H3.
What are the key properties of 4-[4-(2-methoxy-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(2-methoxy-4-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-4-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134809472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).