(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone

C18H24FN3O2 — CID 97154872

IUPAC(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1nc2cccc(C)n2c1F
InChIInChI=1S/C18H24FN3O2/c1-13-7-5-10-15-20-16(17(19)22(13)15)18(23)21-11-4-3-8-14(21)9-6-12-24-2/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQTABLZJADQBICV-AWEZNQCLSA-N
MW333.41 g/mol
LogP3.20
Rot. Bonds5

About (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone

(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 97154872) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID97154872
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1nc2cccc(C)n2c1F
InChIInChI=1S/C18H24FN3O2/c1-13-7-5-10-15-20-16(17(19)22(13)15)18(23)21-11-4-3-8-14(21)9-6-12-24-2/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQTABLZJADQBICV-AWEZNQCLSA-N
XLogP3.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70756992
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70741469
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-methyl-2-(4-methylphenoxy)propan-1-one
CID 70739489
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 71811402

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 97154872) is (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@@H]1CCCCN1C(=O)c1nc2cccc(C)n2c1F.
What is the InChIKey of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is QTABLZJADQBICV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-7-5-10-15-20-16(17(19)22(13)15)18(23)21-11-4-3-8-14(21)9-6-12-24-2/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 333.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97154872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).