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

C20H21FN2O3 — CID 11660401

IUPAC1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2OCCO2)c2c(OCc3ccc(F)cc3)nccc12
InChIInChI=1S/C20H21FN2O3/c1-13-14(2)23(11-18-24-9-10-25-18)19-17(13)7-8-22-20(19)26-12-15-3-5-16(21)6-4-15/h3-8,18H,9-12H2,1-2H3
InChIKeyXTGAWEMSZJFLDH-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.74
Rot. Bonds5

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

1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11660401) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID11660401
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(CC2OCCO2)c2c(OCc3ccc(F)cc3)nccc12
InChIInChI=1S/C20H21FN2O3/c1-13-14(2)23(11-18-24-9-10-25-18)19-17(13)7-8-22-20(19)26-12-15-3-5-16(21)6-4-15/h3-8,18H,9-12H2,1-2H3
InChIKeyXTGAWEMSZJFLDH-UHFFFAOYSA-N
XLogP3.74
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11660401) is 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(CC2OCCO2)c2c(OCc3ccc(F)cc3)nccc12.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is XTGAWEMSZJFLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-14(2)23(11-18-24-9-10-25-18)19-17(13)7-8-22-20(19)26-12-15-3-5-16(21)6-4-15/h3-8,18H,9-12H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine?
1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 356.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11660401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).