methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate

C14H22FN3O2 — CID 170735040

IUPACmethyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CCN(CCCCCF)C2
InChIInChI=1S/C14H22FN3O2/c1-17-12-6-9-18(8-5-3-4-7-15)10-11(12)16-13(17)14(19)20-2/h3-10H2,1-2H3
InChIKeySZSGIRWLKMYGNM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.70
Rot. Bonds6

About methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate

methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 170735040) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
PubChem CID170735040
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Namemethyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CCN(CCCCCF)C2
InChIInChI=1S/C14H22FN3O2/c1-17-12-6-9-18(8-5-3-4-7-15)10-11(12)16-13(17)14(19)20-2/h3-10H2,1-2H3
InChIKeySZSGIRWLKMYGNM-UHFFFAOYSA-N
XLogP1.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxylate dihydrochloride
CID 18537975
5-tert-butyl 2-methyl 3-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2,5-dicarboxylate
CID 146158040
methyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2-carboxylate dihydrochloride
CID 137964366
(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742570
ethyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2-carboxylate
CID 18537976
tert-butyl 3-methyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69158540
tert-butyl 1-methyl-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69517637
Ethyl 1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazole-2-carboxylate
CID 118155222
5-(2-fluoroethyl)-1,2-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156377194
methyl 1-methyl-5-(5,5,5-trifluoropentyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170734815
methyl 5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735030
methyl 5-(3-fluoropropyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735198

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate (CID 170735040) is methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate is COC(=O)c1nc2c(n1C)CCN(CCCCCF)C2.
What is the InChIKey of methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is SZSGIRWLKMYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-17-12-6-9-18(8-5-3-4-7-15)10-11(12)16-13(17)14(19)20-2/h3-10H2,1-2H3.
What are the key properties of methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-fluoropentyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 170735040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).