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

C11H15N3O2 — CID 105477520

IUPACmethyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@H]1Cc2[nH]cnc2C(C2CC2)N1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)8-4-7-10(13-5-12-7)9(14-8)6-2-3-6/h5-6,8-9,14H,2-4H2,1H3,(H,12,13)/t8-,9?/m1/s1
InChIKeyILOPECSNLBPPRH-VEDVMXKPSA-N
MW221.26 g/mol
LogP0.55
Rot. Bonds2

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

methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 105477520) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID105477520
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@H]1Cc2[nH]cnc2C(C2CC2)N1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)8-4-7-10(13-5-12-7)9(14-8)6-2-3-6/h5-6,8-9,14H,2-4H2,1H3,(H,12,13)/t8-,9?/m1/s1
InChIKeyILOPECSNLBPPRH-VEDVMXKPSA-N
XLogP0.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate (CID 105477520) is methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@H]1Cc2[nH]cnc2C(C2CC2)N1.
What is the InChIKey of methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is ILOPECSNLBPPRH-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11(15)8-4-7-10(13-5-12-7)9(14-8)6-2-3-6/h5-6,8-9,14H,2-4H2,1H3,(H,12,13)/t8-,9?/m1/s1.
What are the key properties of methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-4-cyclopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 105477520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).