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

C27H28FN5O3 — CID 24784581

IUPAC2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCc1cccc(OCCN2CCOCC2)c1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C27H28FN5O3/c28-21-6-4-20(5-7-21)25-31-24-23(9-11-29-26(24)32-25)27(34)30-10-8-19-2-1-3-22(18-19)36-17-14-33-12-15-35-16-13-33/h1-7,9,11,18H,8,10,12-17H2,(H,30,34)(H,29,31,32)
InChIKeySEGHNHFMRSKDQA-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.45
Rot. Bonds9

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

2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24784581) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24784581
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCCc1cccc(OCCN2CCOCC2)c1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C27H28FN5O3/c28-21-6-4-20(5-7-21)25-31-24-23(9-11-29-26(24)32-25)27(34)30-10-8-19-2-1-3-22(18-19)36-17-14-33-12-15-35-16-13-33/h1-7,9,11,18H,8,10,12-17H2,(H,30,34)(H,29,31,32)
InChIKeySEGHNHFMRSKDQA-UHFFFAOYSA-N
XLogP3.45
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24784581) is 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NCCc1cccc(OCCN2CCOCC2)c1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is SEGHNHFMRSKDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c28-21-6-4-20(5-7-21)25-31-24-23(9-11-29-26(24)32-25)27(34)30-10-8-19-2-1-3-22(18-19)36-17-14-33-12-15-35-16-13-33/h1-7,9,11,18H,8,10,12-17H2,(H,30,34)(H,29,31,32).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-(4-fluorophenyl)-N-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 3.45, 9 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-(2-morpholin-4-ylethoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24784581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).