methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate

C12H15BrN4O2 — CID 24903751

IUPACmethyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2cncc(Br)c2n1CCN(C)C
InChIInChI=1S/C12H15BrN4O2/c1-16(2)4-5-17-10-8(13)6-14-7-9(10)15-11(17)12(18)19-3/h6-7H,4-5H2,1-3H3
InChIKeyIRGUFPJBLQMUKZ-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.54
Rot. Bonds4

About methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate

methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 24903751) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate
PubChem CID24903751
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Namemethyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2cncc(Br)c2n1CCN(C)C
InChIInChI=1S/C12H15BrN4O2/c1-16(2)4-5-17-10-8(13)6-14-7-9(10)15-11(17)12(18)19-3/h6-7H,4-5H2,1-3H3
InChIKeyIRGUFPJBLQMUKZ-UHFFFAOYSA-N
XLogP1.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 24903742
methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate
CID 112617609
[4-(7-bromo-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamic acid
CID 91264873
methyl 5-bromo-4-methylsulfanylpyridine-3-carboxylate
CID 178053827
methyl 7-bromo-2-methyl-1-propylbenzimidazole-5-carboxylate
CID 75487822
methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
CID 114432337
3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid
CID 82378960
methyl 6-bromopyrazine-2-carboxylate
CID 52988070
methyl 1-[2-(dimethylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643839
methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate
CID 112617607

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate (CID 24903751) is methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate is COC(=O)c1nc2cncc(Br)c2n1CCN(C)C.
What is the InChIKey of methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is IRGUFPJBLQMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-16(2)4-5-17-10-8(13)6-14-7-9(10)15-11(17)12(18)19-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate?
methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 327.18 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 24903751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).