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

C19H15N5O3 — CID 42626129

IUPAC1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C19H15N5O3/c25-18(21-12-4-2-1-3-5-12)22-13-6-8-14(9-7-13)27-15-10-11-20-17-16(15)23-19(26)24-17/h1-11H,(H2,21,22,25)(H2,20,23,24,26)
InChIKeyWATMTTMLMLQUGF-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.69
Rot. Bonds4

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

1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea (PubChem CID 42626129) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea
PubChem CID42626129
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
InChIInChI=1S/C19H15N5O3/c25-18(21-12-4-2-1-3-5-12)22-13-6-8-14(9-7-13)27-15-10-11-20-17-16(15)23-19(26)24-17/h1-11H,(H2,21,22,25)(H2,20,23,24,26)
InChIKeyWATMTTMLMLQUGF-UHFFFAOYSA-N
XLogP3.69
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea (CID 42626129) is 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1.
What is the InChIKey of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea?
The InChIKey is WATMTTMLMLQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c25-18(21-12-4-2-1-3-5-12)22-13-6-8-14(9-7-13)27-15-10-11-20-17-16(15)23-19(26)24-17/h1-11H,(H2,21,22,25)(H2,20,23,24,26).
What are the key properties of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea?
1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea has a molecular weight of 361.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-phenylurea is sourced from PubChem (CID 42626129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).