2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol

C19H20FN3O2 — CID 176652140

IUPAC2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol
SMILESCO[C@H]1CCCN(c2ccc(-c3cc4ccc(O)cc4[nH]3)c([18F])n2)C1
InChIInChI=1S/C19H20FN3O2/c1-25-14-3-2-8-23(11-14)18-7-6-15(19(20)22-18)17-9-12-4-5-13(24)10-16(12)21-17/h4-7,9-10,14,21,24H,2-3,8,11H2,1H3/t14-/m0/s1/i20-1
InChIKeyOWQVWWLQFQBMQX-GXVDTGCGSA-N
MW340.39 g/mol
LogP3.69
Rot. Bonds3

About 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol

2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol (PubChem CID 176652140) has the molecular formula C19H20FN3O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol.

Molecular Properties

Compound Name2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol
PubChem CID176652140
Molecular FormulaC19H20FN3O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol
SMILESCO[C@H]1CCCN(c2ccc(-c3cc4ccc(O)cc4[nH]3)c([18F])n2)C1
InChIInChI=1S/C19H20FN3O2/c1-25-14-3-2-8-23(11-14)18-7-6-15(19(20)22-18)17-9-12-4-5-13(24)10-16(12)21-17/h4-7,9-10,14,21,24H,2-3,8,11H2,1H3/t14-/m0/s1/i20-1
InChIKeyOWQVWWLQFQBMQX-GXVDTGCGSA-N
XLogP3.69
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1H-indol-5-ol
CID 171545767
[2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane
CID 176652142
1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 156681108
6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine
CID 102955729
3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine
CID 102965992
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960143
6-[(3S)-3-methoxypiperidin-1-yl]pyridin-3-amine
CID 129395792
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
3-methoxy-1-phenylpiperidine
CID 70382121
6-(3-methoxypiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 90016691
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520

Frequently Asked Questions

What is the IUPAC name of 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol?
The IUPAC name of 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol (CID 176652140) is 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol.
What is the SMILES notation for 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol?
The canonical SMILES for 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol is CO[C@H]1CCCN(c2ccc(-c3cc4ccc(O)cc4[nH]3)c([18F])n2)C1.
What is the InChIKey of 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol?
The InChIKey is OWQVWWLQFQBMQX-GXVDTGCGSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-25-14-3-2-8-23(11-14)18-7-6-15(19(20)22-18)17-9-12-4-5-13(24)10-16(12)21-17/h4-7,9-10,14,21,24H,2-3,8,11H2,1H3/t14-/m0/s1/i20-1.
What are the key properties of 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol?
2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol has a molecular weight of 340.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(18F)fluoro-6-[(3S)-3-methoxypiperidin-1-yl]-3-pyridinyl]-1H-indol-6-ol is sourced from PubChem (CID 176652140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).