2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

C28H30FN5O3 — CID 24784582

IUPAC2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCc1cccc(OCCCN2CCOCC2)c1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C28H30FN5O3/c29-22-7-5-21(6-8-22)26-32-25-24(10-12-30-27(25)33-26)28(35)31-11-9-20-3-1-4-23(19-20)37-16-2-13-34-14-17-36-18-15-34/h1,3-8,10,12,19H,2,9,11,13-18H2,(H,31,35)(H,30,32,33)
InChIKeyCQLBZSYBRGRBDX-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.84
Rot. Bonds10

About 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24784582) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24784582
Molecular FormulaC28H30FN5O3
Molecular Weight503.58 g/mol
Exact Mass503.23
IUPAC Name2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCc1cccc(OCCCN2CCOCC2)c1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C28H30FN5O3/c29-22-7-5-21(6-8-22)26-32-25-24(10-12-30-27(25)33-26)28(35)31-11-9-20-3-1-4-23(19-20)37-16-2-13-34-14-17-36-18-15-34/h1,3-8,10,12,19H,2,9,11,13-18H2,(H,31,35)(H,30,32,33)
InChIKeyCQLBZSYBRGRBDX-UHFFFAOYSA-N
XLogP3.84
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24784582) is 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NCCc1cccc(OCCCN2CCOCC2)c1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is CQLBZSYBRGRBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3/c29-22-7-5-21(6-8-22)26-32-25-24(10-12-30-27(25)33-26)28(35)31-11-9-20-3-1-4-23(19-20)37-16-2-13-34-14-17-36-18-15-34/h1,3-8,10,12,19H,2,9,11,13-18H2,(H,31,35)(H,30,32,33).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24784582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).