2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine

C18H22N4O — CID 141110917

IUPAC2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine
SMILESCCn1cnc2c(-c3ccccc3)ncc(OCCN(C)C)c21
InChIInChI=1S/C18H22N4O/c1-4-22-13-20-17-16(14-8-6-5-7-9-14)19-12-15(18(17)22)23-11-10-21(2)3/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyURANNITVRDOZAB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.06
Rot. Bonds6

About 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine

2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine (PubChem CID 141110917) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine
PubChem CID141110917
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine
SMILESCCn1cnc2c(-c3ccccc3)ncc(OCCN(C)C)c21
InChIInChI=1S/C18H22N4O/c1-4-22-13-20-17-16(14-8-6-5-7-9-14)19-12-15(18(17)22)23-11-10-21(2)3/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyURANNITVRDOZAB-UHFFFAOYSA-N
XLogP3.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine (CID 141110917) is 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine is CCn1cnc2c(-c3ccccc3)ncc(OCCN(C)C)c21.
What is the InChIKey of 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine?
The InChIKey is URANNITVRDOZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-22-13-20-17-16(14-8-6-5-7-9-14)19-12-15(18(17)22)23-11-10-21(2)3/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine?
2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine has a molecular weight of 310.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 141110917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).