2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine

C17H26N4 — CID 64871260

IUPAC2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCC1(C)CN(Cc2cn3ccccc3n2)C(C)CCN1
InChIInChI=1S/C17H26N4/c1-4-17(3)13-21(14(2)8-9-18-17)12-15-11-20-10-6-5-7-16(20)19-15/h5-7,10-11,14,18H,4,8-9,12-13H2,1-3H3
InChIKeyLISCWEXYQYKWPI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.69
Rot. Bonds3

About 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine

2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 64871260) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID64871260
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCC1(C)CN(Cc2cn3ccccc3n2)C(C)CCN1
InChIInChI=1S/C17H26N4/c1-4-17(3)13-21(14(2)8-9-18-17)12-15-11-20-10-6-5-7-16(20)19-15/h5-7,10-11,14,18H,4,8-9,12-13H2,1-3H3
InChIKeyLISCWEXYQYKWPI-UHFFFAOYSA-N
XLogP2.69
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine (CID 64871260) is 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine is CCC1(C)CN(Cc2cn3ccccc3n2)C(C)CCN1.
What is the InChIKey of 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is LISCWEXYQYKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-17(3)13-21(14(2)8-9-18-17)12-15-11-20-10-6-5-7-16(20)19-15/h5-7,10-11,14,18H,4,8-9,12-13H2,1-3H3.
What are the key properties of 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 286.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 64871260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).