7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

C17H14FN5O3 — CID 126504461

IUPAC7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3cc4c(OC)cnnc4cc3F)c12
InChIInChI=1S/C17H14FN5O3/c1-3-26-13-4-5-19-16-15(13)23(17(24)21-16)12-6-9-11(7-10(12)18)22-20-8-14(9)25-2/h4-8H,3H2,1-2H3,(H,19,21,24)
InChIKeyOBJQWSCONHDLEH-UHFFFAOYSA-N
MW355.33 g/mol
LogP2.20
Rot. Bonds4

About 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 126504461) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID126504461
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3cc4c(OC)cnnc4cc3F)c12
InChIInChI=1S/C17H14FN5O3/c1-3-26-13-4-5-19-16-15(13)23(17(24)21-16)12-6-9-11(7-10(12)18)22-20-8-14(9)25-2/h4-8H,3H2,1-2H3,(H,19,21,24)
InChIKeyOBJQWSCONHDLEH-UHFFFAOYSA-N
XLogP2.20
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 126504461) is 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is CCOc1ccnc2[nH]c(=O)n(-c3cc4c(OC)cnnc4cc3F)c12.
What is the InChIKey of 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is OBJQWSCONHDLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-3-26-13-4-5-19-16-15(13)23(17(24)21-16)12-6-9-11(7-10(12)18)22-20-8-14(9)25-2/h4-8H,3H2,1-2H3,(H,19,21,24).
What are the key properties of 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 355.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-(7-fluoro-4-methoxycinnolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 126504461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).