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

C25H20F3N7O3 — CID 46197980

IUPAC1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)n(C)c34)cc2)cc1
InChIInChI=1S/C25H20F3N7O3/c1-14-3-7-16(8-4-14)35-20(13-19(33-35)25(26,27)28)31-23(36)30-15-5-9-17(10-6-15)38-18-11-12-29-22-21(18)34(2)24(37)32-22/h3-13H,1-2H3,(H,29,32,37)(H2,30,31,36)
InChIKeyZNFRNJVVNAVTMH-UHFFFAOYSA-N
MW523.48 g/mol
LogP5.21
Rot. Bonds5

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

1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea (PubChem CID 46197980) has the molecular formula C25H20F3N7O3 and a molecular weight of 523.48 g/mol. Its IUPAC name is 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea
PubChem CID46197980
Molecular FormulaC25H20F3N7O3
Molecular Weight523.48 g/mol
Exact Mass523.16
IUPAC Name1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)n(C)c34)cc2)cc1
InChIInChI=1S/C25H20F3N7O3/c1-14-3-7-16(8-4-14)35-20(13-19(33-35)25(26,27)28)31-23(36)30-15-5-9-17(10-6-15)38-18-11-12-29-22-21(18)34(2)24(37)32-22/h3-13H,1-2H3,(H,29,32,37)(H2,30,31,36)
InChIKeyZNFRNJVVNAVTMH-UHFFFAOYSA-N
XLogP5.21
TPSA118.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.48
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

Acrizanib
CID 59394698
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198319
Pyridoimidazolone, 5e
CID 42626193
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
Cct196969
CID 42628843
Pyridoimidazolone, 5k
CID 42626266
Pyridoimidazolone, 5n
CID 42626269
Pyridoimidazolone, 5p
CID 42626338
Pyridoimidazolone, 5r
CID 42626339
Pyridoimidazolone, 5s
CID 42626340
1-[1-[1-(4-Ethoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 11235455
5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11237028

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea?
The IUPAC name of 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea (CID 46197980) is 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea is Cc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)n(C)c34)cc2)cc1.
What is the InChIKey of 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea?
The InChIKey is ZNFRNJVVNAVTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O3/c1-14-3-7-16(8-4-14)35-20(13-19(33-35)25(26,27)28)31-23(36)30-15-5-9-17(10-6-15)38-18-11-12-29-22-21(18)34(2)24(37)32-22/h3-13H,1-2H3,(H,29,32,37)(H2,30,31,36).
What are the key properties of 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea?
1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea has a molecular weight of 523.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea is sourced from PubChem (CID 46197980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).