methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

C11H17N3O2 — CID 25339068

IUPACmethyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2nc[nH]c2CN1C(C)C
InChIInChI=1S/C11H17N3O2/c1-7(2)14-5-9-8(12-6-13-9)4-10(14)11(15)16-3/h6-7,10H,4-5H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyKVAOGOUOWHEORT-JTQLQIEISA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds2

About methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 25339068) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID25339068
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2nc[nH]c2CN1C(C)C
InChIInChI=1S/C11H17N3O2/c1-7(2)14-5-9-8(12-6-13-9)4-10(14)11(15)16-3/h6-7,10H,4-5H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyKVAOGOUOWHEORT-JTQLQIEISA-N
XLogP0.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Related Compounds

4,5,6,7-Tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 363935
(6S)-4,5,6,7-Tetrahydro-3H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 162899
1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride
CID 2771116
5-((tert-butoxy)carbonyl)-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 3159376
3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-
CID 78435402
(6R)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 1548287
methyl (6S)-5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25338993
4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride
CID 16807503
methyl (6S)-5-acetyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25338996
methyl (6S)-5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25339002
methyl (6S)-5-methylsulfonyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25339008
methyl (6S)-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 25339065

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (CID 25339068) is methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(C)C.
What is the InChIKey of methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is KVAOGOUOWHEORT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)14-5-9-8(12-6-13-9)4-10(14)11(15)16-3/h6-7,10H,4-5H2,1-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 25339068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).