lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide

C17H23FLiN3 — CID 118211876

IUPAClithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide
SMILESCC(C)(F)CN1CCC(Cn2c[c-]c3cccnc32)CC1.[Li+]
InChIInChI=1S/C17H23FN3.Li/c1-17(2,18)13-20-9-5-14(6-10-20)12-21-11-7-15-4-3-8-19-16(15)21;/h3-4,8,11,14H,5-6,9-10,12-13H2,1-2H3;/q-1;+1
InChIKeyPEEKUZBSCCMNBX-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.30
Rot. Bonds4

About lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide

lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide (PubChem CID 118211876) has the molecular formula C17H23FLiN3 and a molecular weight of 295.33 g/mol. Its IUPAC name is lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide.

Molecular Properties

Compound Namelithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide
PubChem CID118211876
Molecular FormulaC17H23FLiN3
Molecular Weight295.33 g/mol
Exact Mass295.20
IUPAC Namelithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide
SMILESCC(C)(F)CN1CCC(Cn2c[c-]c3cccnc32)CC1.[Li+]
InChIInChI=1S/C17H23FN3.Li/c1-17(2,18)13-20-9-5-14(6-10-20)12-21-11-7-15-4-3-8-19-16(15)21;/h3-4,8,11,14H,5-6,9-10,12-13H2,1-2H3;/q-1;+1
InChIKeyPEEKUZBSCCMNBX-UHFFFAOYSA-N
XLogP0.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide with MolForge

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Related Compounds

4-[[1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]benzamide;hydrate
CID 158120402
N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
CID 146228787
2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid
CID 141382276
1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine
CID 76852301
4-[(4-cyclohexa-1,5-dien-1-ylphenoxy)methyl]-1-(2-fluoro-2-methylpropyl)piperidine
CID 90018396
5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine
CID 72699940
methyl 4-[[1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]indol-3-yl]methyl]benzoate
CID 118212123
1-[(2-chloro-3-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 61051712
2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol
CID 146229131
2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine
CID 66805437
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159828

Frequently Asked Questions

What is the IUPAC name of lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide?
The IUPAC name of lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide (CID 118211876) is lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide.
What is the SMILES notation for lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide?
The canonical SMILES for lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide is CC(C)(F)CN1CCC(Cn2c[c-]c3cccnc32)CC1.[Li+].
What is the InChIKey of lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide?
The InChIKey is PEEKUZBSCCMNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN3.Li/c1-17(2,18)13-20-9-5-14(6-10-20)12-21-11-7-15-4-3-8-19-16(15)21;/h3-4,8,11,14H,5-6,9-10,12-13H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide?
lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide has a molecular weight of 295.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-3-ide is sourced from PubChem (CID 118211876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).