(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H20FN5O — CID 72927120

IUPAC(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCCC(c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C20H20FN5O/c21-18-12-23-8-5-17(18)20(27)26-10-1-2-16(14-26)19-24-9-11-25(19)13-15-3-6-22-7-4-15/h3-9,11-12,16H,1-2,10,13-14H2
InChIKeyFTIOSADCYZBZQS-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.88
Rot. Bonds4

About (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72927120) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72927120
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCCC(c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C20H20FN5O/c21-18-12-23-8-5-17(18)20(27)26-10-1-2-16(14-26)19-24-9-11-25(19)13-15-3-6-22-7-4-15/h3-9,11-12,16H,1-2,10,13-14H2
InChIKeyFTIOSADCYZBZQS-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

Analyze (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97194429
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
(3-fluorophenyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97139604
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97284377
[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 72869064
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 97121178
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
4-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72921169
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281406
4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 97147336

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72927120) is (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccncc1F)N1CCCC(c2nccn2Cc2ccncc2)C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is FTIOSADCYZBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-18-12-23-8-5-17(18)20(27)26-10-1-2-16(14-26)19-24-9-11-25(19)13-15-3-6-22-7-4-15/h3-9,11-12,16H,1-2,10,13-14H2.
What are the key properties of (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-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 (3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72927120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).