methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C16H24N4O2 — CID 126585479

IUPACmethyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2nc(C)n(C3CC4CCC(C3)N4)c2C1
InChIInChI=1S/C16H24N4O2/c1-10-17-14-5-6-19(16(21)22-2)9-15(14)20(10)13-7-11-3-4-12(8-13)18-11/h11-13,18H,3-9H2,1-2H3
InChIKeySHSDVXOJIGOPPJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.77
Rot. Bonds1

About methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 126585479) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
PubChem CID126585479
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Namemethyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2nc(C)n(C3CC4CCC(C3)N4)c2C1
InChIInChI=1S/C16H24N4O2/c1-10-17-14-5-6-19(16(21)22-2)9-15(14)20(10)13-7-11-3-4-12(8-13)18-11/h11-13,18H,3-9H2,1-2H3
InChIKeySHSDVXOJIGOPPJ-UHFFFAOYSA-N
XLogP1.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 126585479) is methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is COC(=O)N1CCc2nc(C)n(C3CC4CCC(C3)N4)c2C1.
What is the InChIKey of methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is SHSDVXOJIGOPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10-17-14-5-6-19(16(21)22-2)9-15(14)20(10)13-7-11-3-4-12(8-13)18-11/h11-13,18H,3-9H2,1-2H3.
What are the key properties of methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 126585479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).