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

C21H20FN3O2 — CID 134805490

IUPAC4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2c1cc(C)n2C
InChIInChI=1S/C21H20FN3O2/c1-11-8-16-18(25(11)4)10-17(20-12(2)24-27-13(20)3)23-21(16)15-7-6-14(22)9-19(15)26-5/h6-10H,1-5H3
InChIKeyPXCJFQDWXYWQDI-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.97
Rot. Bonds3

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

4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134805490) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134805490
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2c1cc(C)n2C
InChIInChI=1S/C21H20FN3O2/c1-11-8-16-18(25(11)4)10-17(20-12(2)24-27-13(20)3)23-21(16)15-7-6-14(22)9-19(15)26-5/h6-10H,1-5H3
InChIKeyPXCJFQDWXYWQDI-UHFFFAOYSA-N
XLogP4.97
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134806472
PF-Cbp2
CID 137640929
4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805123
4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134808857
3,5-Dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 117628356
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
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
3,5-dimethyl-4-[2-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole
CID 134806448
4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134807915
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137288918
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]indol-1-yl]ethyl]morpholine
CID 127036064
4-[3-(6-Methoxy-3-pyridyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059812

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134805490) is 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2c1cc(C)n2C.
What is the InChIKey of 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is PXCJFQDWXYWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-11-8-16-18(25(11)4)10-17(20-12(2)24-27-13(20)3)23-21(16)15-7-6-14(22)9-19(15)26-5/h6-10H,1-5H3.
What are the key properties of 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 365.41 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-2-methoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134805490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).