(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H20FN5O — CID 72909128

IUPAC(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cncc(F)c1)N1CCCC(c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C20H20FN5O/c21-17-10-16(11-22-12-17)20(27)26-8-3-4-15(13-26)19-24-7-9-25(19)14-18-5-1-2-6-23-18/h1-2,5-7,9-12,15H,3-4,8,13-14H2
InChIKeyCMACOLNJKMMEMC-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.88
Rot. Bonds4

About (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72909128) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72909128
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1cncc(F)c1)N1CCCC(c2nccn2Cc2ccccn2)C1
InChIInChI=1S/C20H20FN5O/c21-17-10-16(11-22-12-17)20(27)26-8-3-4-15(13-26)19-24-7-9-25(19)14-18-5-1-2-6-23-18/h1-2,5-7,9-12,15H,3-4,8,13-14H2
InChIKeyCMACOLNJKMMEMC-UHFFFAOYSA-N
XLogP2.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-4-pyridinyl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97270134
(2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97270135
4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97155832
(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97142614
(1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97275072
5-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97117798
5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 72849233
(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97150810
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
(5-methyl-1,2-oxazol-3-yl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72899366
(3-fluorophenyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97139604
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281633

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72909128) is (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1cncc(F)c1)N1CCCC(c2nccn2Cc2ccccn2)C1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is CMACOLNJKMMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-17-10-16(11-22-12-17)20(27)26-8-3-4-15(13-26)19-24-7-9-25(19)14-18-5-1-2-6-23-18/h1-2,5-7,9-12,15H,3-4,8,13-14H2.
What are the key properties of (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72909128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).