(3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone

C27H24FN3O2 — CID 42595705

IUPAC(3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(-c5ccccc5)c(F)c4)C3)nc2c1
InChIInChI=1S/C27H24FN3O2/c1-18-11-13-30-17-24(29-25(30)14-18)27(33)31-12-5-8-21(16-31)26(32)20-9-10-22(23(28)15-20)19-6-3-2-4-7-19/h2-4,6-7,9-11,13-15,17,21H,5,8,12,16H2,1H3/t21-/m0/s1
InChIKeyXDBNSXUNNFHYKR-NRFANRHFSA-N
MW441.51 g/mol
LogP5.18
Rot. Bonds4

About (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone

(3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 42595705) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
PubChem CID42595705
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name(3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(-c5ccccc5)c(F)c4)C3)nc2c1
InChIInChI=1S/C27H24FN3O2/c1-18-11-13-30-17-24(29-25(30)14-18)27(33)31-12-5-8-21(16-31)26(32)20-9-10-22(23(28)15-20)19-6-3-2-4-7-19/h2-4,6-7,9-11,13-15,17,21H,5,8,12,16H2,1H3/t21-/m0/s1
InChIKeyXDBNSXUNNFHYKR-NRFANRHFSA-N
XLogP5.18
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126
1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 45206143
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-fluoro-4-phenylphenyl)methanone
CID 25283984
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691
(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
CID 26393022
(3-fluoro-4-phenylphenyl)-[(3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]methanone
CID 42241584
[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45243380
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110091860
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone (CID 42595705) is (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone is Cc1ccn2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(-c5ccccc5)c(F)c4)C3)nc2c1.
What is the InChIKey of (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is XDBNSXUNNFHYKR-NRFANRHFSA-N. The full InChI is InChI=1S/C27H24FN3O2/c1-18-11-13-30-17-24(29-25(30)14-18)27(33)31-12-5-8-21(16-31)26(32)20-9-10-22(23(28)15-20)19-6-3-2-4-7-19/h2-4,6-7,9-11,13-15,17,21H,5,8,12,16H2,1H3/t21-/m0/s1.
What are the key properties of (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone?
(3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 441.51 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 42595705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).