2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C16H19N3O3 — CID 5310048

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C16H19N3O3/c20-15(12-5-1-2-6-13(12)16(21)22)17-9-11-10-19-8-4-3-7-14(19)18-11/h3-4,7-8,10,12-13H,1-2,5-6,9H2,(H,17,20)(H,21,22)
InChIKeyVROWIWYEWQCMRD-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.84
Rot. Bonds4

About 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 5310048) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID5310048
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C16H19N3O3/c20-15(12-5-1-2-6-13(12)16(21)22)17-9-11-10-19-8-4-3-7-14(19)18-11/h3-4,7-8,10,12-13H,1-2,5-6,9H2,(H,17,20)(H,21,22)
InChIKeyVROWIWYEWQCMRD-UHFFFAOYSA-N
XLogP1.84
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 5310048) is 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is VROWIWYEWQCMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(12-5-1-2-6-13(12)16(21)22)17-9-11-10-19-8-4-3-7-14(19)18-11/h3-4,7-8,10,12-13H,1-2,5-6,9H2,(H,17,20)(H,21,22).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5310048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).