methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

C13H19N3O3 — CID 26761840

IUPACmethyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2nc[nH]c2CN1C1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-13(17)12-6-10-11(15-8-14-10)7-16(12)9-2-4-19-5-3-9/h8-9,12H,2-7H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyANNXMSHDRFDRJF-LBPRGKRZSA-N
MW265.31 g/mol
LogP0.49
Rot. Bonds2

About methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 26761840) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID26761840
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2nc[nH]c2CN1C1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-13(17)12-6-10-11(15-8-14-10)7-16(12)9-2-4-19-5-3-9/h8-9,12H,2-7H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyANNXMSHDRFDRJF-LBPRGKRZSA-N
XLogP0.49
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (CID 26761840) is methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@@H]1Cc2nc[nH]c2CN1C1CCOCC1.
What is the InChIKey of methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is ANNXMSHDRFDRJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-13(17)12-6-10-11(15-8-14-10)7-16(12)9-2-4-19-5-3-9/h8-9,12H,2-7H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-(oxan-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 26761840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).