(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

C20H18FN5O2 — CID 154583874

IUPAC(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1ncccc1F)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C20H18FN5O2/c21-17-2-1-7-23-18(17)19(27)26-10-5-16(6-11-26)28-20-24-12-15(13-25-20)14-3-8-22-9-4-14/h1-4,7-9,12-13,16H,5-6,10-11H2
InChIKeyTZDKACLLVZIKOJ-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.76
Rot. Bonds4

About (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 154583874) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID154583874
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1ncccc1F)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C20H18FN5O2/c21-17-2-1-7-23-18(17)19(27)26-10-5-16(6-11-26)28-20-24-12-15(13-25-20)14-3-8-22-9-4-14/h1-4,7-9,12-13,16H,5-6,10-11H2
InChIKeyTZDKACLLVZIKOJ-UHFFFAOYSA-N
XLogP2.76
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583941
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(5-hydroxy-2-pyridinyl)methanone
CID 154846075
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 119100397
4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 154582809
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
CID 154583495
(2-chloro-6-fluorophenyl)-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154576628
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 154583874) is (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is O=C(c1ncccc1F)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1.
What is the InChIKey of (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is TZDKACLLVZIKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-17-2-1-7-23-18(17)19(27)26-10-5-16(6-11-26)28-20-24-12-15(13-25-20)14-3-8-22-9-4-14/h1-4,7-9,12-13,16H,5-6,10-11H2.
What are the key properties of (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 379.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 154583874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).