2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine

C22H22N4O2 — CID 10172593

IUPAC2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1
InChIInChI=1S/C22H22N4O2/c1-27-18-9-12-23-17(15-18)7-8-20-25-21-19(10-13-24-22(21)26-20)28-14-11-16-5-3-2-4-6-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,25,26)
InChIKeyQNXDIRKAMJNSMJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.77
Rot. Bonds8

About 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine

2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine (PubChem CID 10172593) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
PubChem CID10172593
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1
InChIInChI=1S/C22H22N4O2/c1-27-18-9-12-23-17(15-18)7-8-20-25-21-19(10-13-24-22(21)26-20)28-14-11-16-5-3-2-4-6-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,25,26)
InChIKeyQNXDIRKAMJNSMJ-UHFFFAOYSA-N
XLogP3.77
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine (CID 10172593) is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine?
The InChIKey is QNXDIRKAMJNSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-18-9-12-23-17(15-18)7-8-20-25-21-19(10-13-24-22(21)26-20)28-14-11-16-5-3-2-4-6-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,25,26).
What are the key properties of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine?
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine has a molecular weight of 374.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10172593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).