7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine

C19H21FN2O2 — CID 11508849

IUPAC7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine
SMILESCOCCn1c(C)c(C)c2cncc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H21FN2O2/c1-13-14(2)22(8-9-23-3)19-17(13)10-21-11-18(19)24-12-15-4-6-16(20)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyFJMKQONQRXNSMZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.02
Rot. Bonds6

About 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine

7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine (PubChem CID 11508849) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine
PubChem CID11508849
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine
SMILESCOCCn1c(C)c(C)c2cncc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H21FN2O2/c1-13-14(2)22(8-9-23-3)19-17(13)10-21-11-18(19)24-12-15-4-6-16(20)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyFJMKQONQRXNSMZ-UHFFFAOYSA-N
XLogP4.02
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine (CID 11508849) is 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine is COCCn1c(C)c(C)c2cncc(OCc3ccc(F)cc3)c21.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine?
The InChIKey is FJMKQONQRXNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-14(2)22(8-9-23-3)19-17(13)10-21-11-18(19)24-12-15-4-6-16(20)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine?
7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine has a molecular weight of 328.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 11508849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).