1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

C22H16FN5O — CID 58447912

IUPAC1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)nc1)Cc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H16FN5O/c23-22-10-16(5-6-26-22)20-4-1-15(12-28-20)9-19(29)11-18-3-2-17(13-27-18)21-14-24-7-8-25-21/h1-8,10,12-14H,9,11H2
InChIKeyGHENJDKAYCQSRV-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.49
Rot. Bonds6

About 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (PubChem CID 58447912) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
PubChem CID58447912
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESO=C(Cc1ccc(-c2ccnc(F)c2)nc1)Cc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C22H16FN5O/c23-22-10-16(5-6-26-22)20-4-1-15(12-28-20)9-19(29)11-18-3-2-17(13-27-18)21-14-24-7-8-25-21/h1-8,10,12-14H,9,11H2
InChIKeyGHENJDKAYCQSRV-UHFFFAOYSA-N
XLogP3.49
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (CID 58447912) is 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is O=C(Cc1ccc(-c2ccnc(F)c2)nc1)Cc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The InChIKey is GHENJDKAYCQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-22-10-16(5-6-26-22)20-4-1-15(12-28-20)9-19(29)11-18-3-2-17(13-27-18)21-14-24-7-8-25-21/h1-8,10,12-14H,9,11H2.
What are the key properties of 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one has a molecular weight of 385.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 58447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).