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

C22H20FN3O — CID 11509511

IUPAC7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2cccnc2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C22H20FN3O/c1-15-16(2)26(13-18-4-3-10-24-12-18)22-20(9-11-25-21(15)22)27-14-17-5-7-19(23)8-6-17/h3-12H,13-14H2,1-2H3
InChIKeyZGTHKSJWMUVUFA-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.81
Rot. Bonds5

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

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine (PubChem CID 11509511) 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-3-ylmethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine
PubChem CID11509511
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2cccnc2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C22H20FN3O/c1-15-16(2)26(13-18-4-3-10-24-12-18)22-20(9-11-25-21(15)22)27-14-17-5-7-19(23)8-6-17/h3-12H,13-14H2,1-2H3
InChIKeyZGTHKSJWMUVUFA-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-3-ylmethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine (CID 11509511) is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine is Cc1c(C)n(Cc2cccnc2)c2c(OCc3ccc(F)cc3)ccnc12.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is ZGTHKSJWMUVUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-15-16(2)26(13-18-4-3-10-24-12-18)22-20(9-11-25-21(15)22)27-14-17-5-7-19(23)8-6-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-b]pyridine?
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-(pyridin-3-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-3-ylmethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11509511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).