[4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone

C22H13FN2O2 — CID 175995975

IUPAC[4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)n1ccc2c(-c3ccc4occc4c3)cncc21
InChIInChI=1S/C22H13FN2O2/c23-17-4-1-14(2-5-17)22(26)25-9-7-18-19(12-24-13-20(18)25)15-3-6-21-16(11-15)8-10-27-21/h1-13H
InChIKeyYJFAVEZVECMVMJ-UHFFFAOYSA-N
MW356.36 g/mol
LogP5.28
Rot. Bonds2

About [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone

[4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 175995975) has the molecular formula C22H13FN2O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone
PubChem CID175995975
Molecular FormulaC22H13FN2O2
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Name[4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)n1ccc2c(-c3ccc4occc4c3)cncc21
InChIInChI=1S/C22H13FN2O2/c23-17-4-1-14(2-5-17)22(26)25-9-7-18-19(12-24-13-20(18)25)15-3-6-21-16(11-15)8-10-27-21/h1-13H
InChIKeyYJFAVEZVECMVMJ-UHFFFAOYSA-N
XLogP5.28
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone (CID 175995975) is [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)n1ccc2c(-c3ccc4occc4c3)cncc21.
What is the InChIKey of [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is YJFAVEZVECMVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN2O2/c23-17-4-1-14(2-5-17)22(26)25-9-7-18-19(12-24-13-20(18)25)15-3-6-21-16(11-15)8-10-27-21/h1-13H.
What are the key properties of [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone?
[4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 356.36 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-5-yl)pyrrolo[2,3-c]pyridin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 175995975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).