N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide

C25H20FN5O3S — CID 166545583

IUPACN-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCC(C)n1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4ncc(-c5ccccc5)s4)cc3F)c21
InChIInChI=1S/C25H20FN5O3S/c1-14(2)31-21-19(10-11-27-22(21)30-25(31)33)34-18-9-8-16(12-17(18)26)29-23(32)24-28-13-20(35-24)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,29,32)(H,27,30,33)
InChIKeyDDCZVVYHXYGWGL-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.61
Rot. Bonds6

About N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide

N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 166545583) has the molecular formula C25H20FN5O3S and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide
PubChem CID166545583
Molecular FormulaC25H20FN5O3S
Molecular Weight489.53 g/mol
Exact Mass489.13
IUPAC NameN-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCC(C)n1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4ncc(-c5ccccc5)s4)cc3F)c21
InChIInChI=1S/C25H20FN5O3S/c1-14(2)31-21-19(10-11-27-22(21)30-25(31)33)34-18-9-8-16(12-17(18)26)29-23(32)24-28-13-20(35-24)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,29,32)(H,27,30,33)
InChIKeyDDCZVVYHXYGWGL-UHFFFAOYSA-N
XLogP5.61
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide (CID 166545583) is N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide is CC(C)n1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4ncc(-c5ccccc5)s4)cc3F)c21.
What is the InChIKey of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is DDCZVVYHXYGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3S/c1-14(2)31-21-19(10-11-27-22(21)30-25(31)33)34-18-9-8-16(12-17(18)26)29-23(32)24-28-13-20(35-24)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,29,32)(H,27,30,33).
What are the key properties of N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide?
N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-5-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 166545583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).