1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

C21H15ClF3N5O3 — CID 11719900

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCn1c(=O)[nH]c2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc21
InChIInChI=1S/C21H15ClF3N5O3/c1-30-18-17(29-20(30)32)16(8-9-26-18)33-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(22)14(10-12)21(23,24)25/h2-10H,1H3,(H,29,32)(H2,27,28,31)
InChIKeyMNCDHOPLKWNXCF-UHFFFAOYSA-N
MW477.83 g/mol
LogP5.37
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 11719900) has the molecular formula C21H15ClF3N5O3 and a molecular weight of 477.83 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID11719900
Molecular FormulaC21H15ClF3N5O3
Molecular Weight477.83 g/mol
Exact Mass477.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESCn1c(=O)[nH]c2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc21
InChIInChI=1S/C21H15ClF3N5O3/c1-30-18-17(29-20(30)32)16(8-9-26-18)33-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(22)14(10-12)21(23,24)25/h2-10H,1H3,(H,29,32)(H2,27,28,31)
InChIKeyMNCDHOPLKWNXCF-UHFFFAOYSA-N
XLogP5.37
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.83
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridoimidazolone, 26
CID 42625162
Urea, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-
CID 42625505
Pyridoimidazolone, 5d
CID 42626192
Pyridoimidazolone, 5e
CID 42626193
Pyridoimidazolone, 5h
CID 42626196
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-N'-[2-methoxy-5-(trifluoromethyl)phenyl]-
CID 42626197
Pyridoimidazolone, 5j
CID 42626265
Pyridoimidazolone, 5o
CID 42626270
Raf kinase inhibitor vii
CID 44185123
Pyridoimidazolone, 5k
CID 42626266
Pyridoimidazolone, 5n
CID 42626269
Pyridoimidazolone, 5p
CID 42626338

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 11719900) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is Cn1c(=O)[nH]c2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc21.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is MNCDHOPLKWNXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O3/c1-30-18-17(29-20(30)32)16(8-9-26-18)33-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(22)14(10-12)21(23,24)25/h2-10H,1H3,(H,29,32)(H2,27,28,31).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 477.83 g/mol, XLogP of 5.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 11719900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).