(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C20H14FN3O — CID 11461682

IUPAC(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C20H14FN3O/c1-12-4-5-15(21)8-16(12)19(25)18-11-24-20-17(18)7-14(10-23-20)13-3-2-6-22-9-13/h2-11H,1H3,(H,23,24)
InChIKeyVDGGLFJXDLRYLM-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.30
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 11461682) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID11461682
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C20H14FN3O/c1-12-4-5-15(21)8-16(12)19(25)18-11-24-20-17(18)7-14(10-23-20)13-3-2-6-22-9-13/h2-11H,1H3,(H,23,24)
InChIKeyVDGGLFJXDLRYLM-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 11461682) is (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1ccc(F)cc1C(=O)c1c[nH]c2ncc(-c3cccnc3)cc12.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is VDGGLFJXDLRYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c1-12-4-5-15(21)8-16(12)19(25)18-11-24-20-17(18)7-14(10-23-20)13-3-2-6-22-9-13/h2-11H,1H3,(H,23,24).
What are the key properties of (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 331.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 11461682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).