2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C17H13FN4O2 — CID 58349310

IUPAC2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1cc(CC(=O)c2cc(Oc3cncnc3)ccn2)ncc1F
InChIInChI=1S/C17H13FN4O2/c1-11-4-12(22-9-15(11)18)5-17(23)16-6-13(2-3-21-16)24-14-7-19-10-20-8-14/h2-4,6-10H,5H2,1H3
InChIKeyOILQYGNEOQFAGY-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.93
Rot. Bonds5

About 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349310) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349310
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1cc(CC(=O)c2cc(Oc3cncnc3)ccn2)ncc1F
InChIInChI=1S/C17H13FN4O2/c1-11-4-12(22-9-15(11)18)5-17(23)16-6-13(2-3-21-16)24-14-7-19-10-20-8-14/h2-4,6-10H,5H2,1H3
InChIKeyOILQYGNEOQFAGY-UHFFFAOYSA-N
XLogP2.93
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Auglurant
CID 60168069
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
6-(difluoromethyl)-N-(5-fluoropyridin-2-yl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 90293260
4-(2-cyclopropylpyrimidin-5-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 90293261
5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)picolinamide
CID 76282779
4-[2-Morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine
CID 45487716
4-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-2-pyridinyl]-2-fluoro-N-methoxy-N-methylbenzamide
CID 137643726

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349310) is 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is Cc1cc(CC(=O)c2cc(Oc3cncnc3)ccn2)ncc1F.
What is the InChIKey of 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is OILQYGNEOQFAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-11-4-12(22-9-15(11)18)5-17(23)16-6-13(2-3-21-16)24-14-7-19-10-20-8-14/h2-4,6-10H,5H2,1H3.
What are the key properties of 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 324.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).