7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine

C22H20FN3O — CID 11582063

IUPAC7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2ccccn2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C22H20FN3O/c1-15-16(2)26(13-19-5-3-4-11-24-19)22-20(10-12-25-21(15)22)27-14-17-6-8-18(23)9-7-17/h3-12H,13-14H2,1-2H3
InChIKeyVIJQVMWRXWUHSI-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.81
Rot. Bonds5

About 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine (PubChem CID 11582063) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine
PubChem CID11582063
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2ccccn2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C22H20FN3O/c1-15-16(2)26(13-19-5-3-4-11-24-19)22-20(10-12-25-21(15)22)27-14-17-6-8-18(23)9-7-17/h3-12H,13-14H2,1-2H3
InChIKeyVIJQVMWRXWUHSI-UHFFFAOYSA-N
XLogP4.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.81
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]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine (CID 11582063) is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine is Cc1c(C)n(Cc2ccccn2)c2c(OCc3ccc(F)cc3)ccnc12.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is VIJQVMWRXWUHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-15-16(2)26(13-19-5-3-4-11-24-19)22-20(10-12-25-21(15)22)27-14-17-6-8-18(23)9-7-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 361.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11582063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).