7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane

C30H32FN5O3 — CID 157078340

IUPAC7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane
SMILESC.Cn1c(=O)[nH]c2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4-c4ccccc4)c(F)c3)c21
InChIInChI=1S/C29H28FN5O3.CH4/c1-29(2,3)25-16-20(35(33-25)19-8-6-5-7-9-19)15-21(36)14-18-10-11-22(17-23(18)30)38-24-12-13-31-27-26(24)34(4)28(37)32-27;/h5-13,16-17H,14-15H2,1-4H3,(H,31,32,37);1H4
InChIKeyADFVXIWDVUMPRP-UHFFFAOYSA-N
MW529.62 g/mol
LogP5.67
Rot. Bonds7

About 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane

7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane (PubChem CID 157078340) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane.

Molecular Properties

Compound Name7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane
PubChem CID157078340
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane
SMILESC.Cn1c(=O)[nH]c2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4-c4ccccc4)c(F)c3)c21
InChIInChI=1S/C29H28FN5O3.CH4/c1-29(2,3)25-16-20(35(33-25)19-8-6-5-7-9-19)15-21(36)14-18-10-11-22(17-23(18)30)38-24-12-13-31-27-26(24)34(4)28(37)32-27;/h5-13,16-17H,14-15H2,1-4H3,(H,31,32,37);1H4
InChIKeyADFVXIWDVUMPRP-UHFFFAOYSA-N
XLogP5.67
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.62
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane 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

7-[4-[3-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 147015106
1-[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl]-3-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]propan-2-one
CID 149031508
4-[8-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]quinolin-5-yl]oxy-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
CID 58171671
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-fluoro-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46196677
1-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
CID 155586372
tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
CID 147706697
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
CID 176549230
3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide
CID 46228767
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide
CID 164622697
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-fluoro-4-(2H-triazolo[4,5-b]pyridin-7-yloxy)phenyl]urea
CID 46900268
1-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea
CID 157062917
4-amino-3-fluorophenol;(3-tert-butyl-1-phenylpyrazol-5-yl) cyanate;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one;bis(yttrium)
CID 160894589

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane?
The IUPAC name of 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane (CID 157078340) is 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane.
What is the SMILES notation for 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane?
The canonical SMILES for 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane is C.Cn1c(=O)[nH]c2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4-c4ccccc4)c(F)c3)c21.
What is the InChIKey of 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane?
The InChIKey is ADFVXIWDVUMPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O3.CH4/c1-29(2,3)25-16-20(35(33-25)19-8-6-5-7-9-19)15-21(36)14-18-10-11-22(17-23(18)30)38-24-12-13-31-27-26(24)34(4)28(37)32-27;/h5-13,16-17H,14-15H2,1-4H3,(H,31,32,37);1H4.
What are the key properties of 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane?
7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane has a molecular weight of 529.62 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]-3-fluorophenoxy]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane is sourced from PubChem (CID 157078340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).