ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate

C9H13N3O2 — CID 124518603

IUPACethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
SMILESCCOC(=O)[C@@H]1NCCc2[nH]cnc21
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-7-6(3-4-10-8)11-5-12-7/h5,8,10H,2-4H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyMDKJQYSHTJBCAT-MRVPVSSYSA-N
MW195.22 g/mol
LogP0.16
Rot. Bonds2

About ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate

ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate (PubChem CID 124518603) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
PubChem CID124518603
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
SMILESCCOC(=O)[C@@H]1NCCc2[nH]cnc21
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-7-6(3-4-10-8)11-5-12-7/h5,8,10H,2-4H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyMDKJQYSHTJBCAT-MRVPVSSYSA-N
XLogP0.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
The IUPAC name of ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate (CID 124518603) is ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
The canonical SMILES for ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate is CCOC(=O)[C@@H]1NCCc2[nH]cnc21.
What is the InChIKey of ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
The InChIKey is MDKJQYSHTJBCAT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)8-7-6(3-4-10-8)11-5-12-7/h5,8,10H,2-4H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate is sourced from PubChem (CID 124518603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).