6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one

C21H16F2N2O2 — CID 153047463

IUPAC6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCOc1cc(F)ccc1-c1cnc2c(c1)N(Cc1cccc(F)c1)C(=O)C2
InChIInChI=1S/C21H16F2N2O2/c1-27-20-9-16(23)5-6-17(20)14-8-19-18(24-11-14)10-21(26)25(19)12-13-3-2-4-15(22)7-13/h2-9,11H,10,12H2,1H3
InChIKeyVGWRYHRLAZUKSQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.12
Rot. Bonds4

About 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one

6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 153047463) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID153047463
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCOc1cc(F)ccc1-c1cnc2c(c1)N(Cc1cccc(F)c1)C(=O)C2
InChIInChI=1S/C21H16F2N2O2/c1-27-20-9-16(23)5-6-17(20)14-8-19-18(24-11-14)10-21(26)25(19)12-13-3-2-4-15(22)7-13/h2-9,11H,10,12H2,1H3
InChIKeyVGWRYHRLAZUKSQ-UHFFFAOYSA-N
XLogP4.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one (CID 153047463) is 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one is COc1cc(F)ccc1-c1cnc2c(c1)N(Cc1cccc(F)c1)C(=O)C2.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is VGWRYHRLAZUKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c1-27-20-9-16(23)5-6-17(20)14-8-19-18(24-11-14)10-21(26)25(19)12-13-3-2-4-15(22)7-13/h2-9,11H,10,12H2,1H3.
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one?
6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 366.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 153047463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).