[2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane

C19H21FN3OP — CID 176652142

IUPAC[2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane
SMILES[3H]C([3H])([3H])O[C@H]1CCCN(c2ccc(-c3cc4cc(P)ccc4[nH]3)c(F)n2)C1
InChIInChI=1S/C19H21FN3OP/c1-24-13-3-2-8-23(11-13)18-7-5-15(19(20)22-18)17-10-12-9-14(25)4-6-16(12)21-17/h4-7,9-10,13,21H,2-3,8,11,25H2,1H3/t13-/m0/s1/i1T3
InChIKeyOWFXIIVYKUTECU-VSMSYGILSA-N
MW363.39 g/mol
LogP3.48
Rot. Bonds4

About [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane

[2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane (PubChem CID 176652142) has the molecular formula C19H21FN3OP and a molecular weight of 363.39 g/mol. Its IUPAC name is [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane.

Molecular Properties

Compound Name[2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane
PubChem CID176652142
Molecular FormulaC19H21FN3OP
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name[2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane
SMILES[3H]C([3H])([3H])O[C@H]1CCCN(c2ccc(-c3cc4cc(P)ccc4[nH]3)c(F)n2)C1
InChIInChI=1S/C19H21FN3OP/c1-24-13-3-2-8-23(11-13)18-7-5-15(19(20)22-18)17-10-12-9-14(25)4-6-16(12)21-17/h4-7,9-10,13,21H,2-3,8,11,25H2,1H3/t13-/m0/s1/i1T3
InChIKeyOWFXIIVYKUTECU-VSMSYGILSA-N
XLogP3.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane?
The IUPAC name of [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane (CID 176652142) is [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane.
What is the SMILES notation for [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane?
The canonical SMILES for [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane is [3H]C([3H])([3H])O[C@H]1CCCN(c2ccc(-c3cc4cc(P)ccc4[nH]3)c(F)n2)C1.
What is the InChIKey of [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane?
The InChIKey is OWFXIIVYKUTECU-VSMSYGILSA-N. The full InChI is InChI=1S/C19H21FN3OP/c1-24-13-3-2-8-23(11-13)18-7-5-15(19(20)22-18)17-10-12-9-14(25)4-6-16(12)21-17/h4-7,9-10,13,21H,2-3,8,11,25H2,1H3/t13-/m0/s1/i1T3.
What are the key properties of [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane?
[2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane has a molecular weight of 363.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-fluoro-6-[(3S)-3-(tritritiomethoxy)piperidin-1-yl]-3-pyridinyl]-1H-indol-5-yl]phosphane is sourced from PubChem (CID 176652142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).