2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C16H18N2O2 — CID 79422448

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(Cc2cn3ccccc3n2)CC2CCC1C2
InChIInChI=1S/C16H18N2O2/c19-15(20)16(8-11-4-5-12(16)7-11)9-13-10-18-6-2-1-3-14(18)17-13/h1-3,6,10-12H,4-5,7-9H2,(H,19,20)
InChIKeyWFNFGCDDQHIFKL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.77
Rot. Bonds3

About 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79422448) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79422448
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(Cc2cn3ccccc3n2)CC2CCC1C2
InChIInChI=1S/C16H18N2O2/c19-15(20)16(8-11-4-5-12(16)7-11)9-13-10-18-6-2-1-3-14(18)17-13/h1-3,6,10-12H,4-5,7-9H2,(H,19,20)
InChIKeyWFNFGCDDQHIFKL-UHFFFAOYSA-N
XLogP2.77
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170
2-[(3-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62738506
(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid
CID 68938043
3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032317
2-[(2-fluoro-3-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 104792789
[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)cyclopropyl]methanol
CID 115762997
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94538557
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 71757293

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 79422448) is 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1(Cc2cn3ccccc3n2)CC2CCC1C2.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is WFNFGCDDQHIFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(20)16(8-11-4-5-12(16)7-11)9-13-10-18-6-2-1-3-14(18)17-13/h1-3,6,10-12H,4-5,7-9H2,(H,19,20).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79422448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).