lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate

C14H13LiN2O2 — CID 130405932

IUPAClithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate
SMILESO=C([O-])c1ccc(-c2ncc3n2CCCC3)cc1.[Li+]
InChIInChI=1S/C14H14N2O2.Li/c17-14(18)11-6-4-10(5-7-11)13-15-9-12-3-1-2-8-16(12)13;/h4-7,9H,1-3,8H2,(H,17,18);/q;+1/p-1
InChIKeyQHHMKMBEKSYAGE-UHFFFAOYSA-M
MW248.21 g/mol
LogP-1.75
Rot. Bonds2

About lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate

lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate (PubChem CID 130405932) has the molecular formula C14H13LiN2O2 and a molecular weight of 248.21 g/mol. Its IUPAC name is lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate.

Molecular Properties

Compound Namelithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate
PubChem CID130405932
Molecular FormulaC14H13LiN2O2
Molecular Weight248.21 g/mol
Exact Mass248.11
IUPAC Namelithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate
SMILESO=C([O-])c1ccc(-c2ncc3n2CCCC3)cc1.[Li+]
InChIInChI=1S/C14H14N2O2.Li/c17-14(18)11-6-4-10(5-7-11)13-15-9-12-3-1-2-8-16(12)13;/h4-7,9H,1-3,8H2,(H,17,18);/q;+1/p-1
InChIKeyQHHMKMBEKSYAGE-UHFFFAOYSA-M
XLogP-1.75
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 130429439
4-ethoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833292
4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833310
3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 119858470
3-amino-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 119858442
3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833260
(2S)-2-amino-4-methyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pentanamide
CID 119858502
3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 146644321
5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112832989
2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833070

Frequently Asked Questions

What is the IUPAC name of lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate?
The IUPAC name of lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate (CID 130405932) is lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate.
What is the SMILES notation for lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate?
The canonical SMILES for lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate is O=C([O-])c1ccc(-c2ncc3n2CCCC3)cc1.[Li+].
What is the InChIKey of lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate?
The InChIKey is QHHMKMBEKSYAGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O2.Li/c17-14(18)11-6-4-10(5-7-11)13-15-9-12-3-1-2-8-16(12)13;/h4-7,9H,1-3,8H2,(H,17,18);/q;+1/p-1.
What are the key properties of lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate?
lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate has a molecular weight of 248.21 g/mol, XLogP of -1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate is sourced from PubChem (CID 130405932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).