1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

C19H14FN5O3 — CID 42626267

IUPAC1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C19H14FN5O3/c20-11-2-1-3-13(10-11)23-18(26)22-12-4-6-14(7-5-12)28-15-8-9-21-17-16(15)24-19(27)25-17/h1-10H,(H2,22,23,26)(H2,21,24,25,27)
InChIKeyPQYPEDVVMDASRR-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 42626267) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID42626267
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C19H14FN5O3/c20-11-2-1-3-13(10-11)23-18(26)22-12-4-6-14(7-5-12)28-15-8-9-21-17-16(15)24-19(27)25-17/h1-10H,(H2,22,23,26)(H2,21,24,25,27)
InChIKeyPQYPEDVVMDASRR-UHFFFAOYSA-N
XLogP3.83
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 42626267) is 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is PQYPEDVVMDASRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-11-2-1-3-13(10-11)23-18(26)22-12-4-6-14(7-5-12)28-15-8-9-21-17-16(15)24-19(27)25-17/h1-10H,(H2,22,23,26)(H2,21,24,25,27).
What are the key properties of 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 379.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 42626267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).