5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one

C21H15ClF3N3O4 — CID 25055215

IUPAC5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cc(F)c(-n2c(=O)[nH]c3ccc(Cl)nc32)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C21H15ClF3N3O4/c1-30-15-5-3-11(23)19(25)10(15)9-32-17-8-14(12(24)7-16(17)31-2)28-20-13(26-21(28)29)4-6-18(22)27-20/h3-8H,9H2,1-2H3,(H,26,29)
InChIKeyRLDJFUBPSBHOEB-UHFFFAOYSA-N
MW465.82 g/mol
LogP4.38
Rot. Bonds6

About 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one

5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25055215) has the molecular formula C21H15ClF3N3O4 and a molecular weight of 465.82 g/mol. Its IUPAC name is 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID25055215
Molecular FormulaC21H15ClF3N3O4
Molecular Weight465.82 g/mol
Exact Mass465.07
IUPAC Name5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cc(F)c(-n2c(=O)[nH]c3ccc(Cl)nc32)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C21H15ClF3N3O4/c1-30-15-5-3-11(23)19(25)10(15)9-32-17-8-14(12(24)7-16(17)31-2)28-20-13(26-21(28)29)4-6-18(22)27-20/h3-8H,9H2,1-2H3,(H,26,29)
InChIKeyRLDJFUBPSBHOEB-UHFFFAOYSA-N
XLogP4.38
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

5-chloro-3-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 25055218
5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid
CID 159116900
6-chloro-9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-7H-purin-8-one
CID 59309880
9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-6-ethoxy-7H-purin-8-one
CID 25056263
9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-6-(1-hydroxyethyl)-7H-purin-8-one
CID 59310093
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(6-methoxy-2-methyl-8-oxo-7H-purin-9-yl)phenoxy]acetamide
CID 59309949
5-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-4,6-dioxo-2,7-dihydropyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 166065982
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(6-methoxy-2-methyl-8-oxo-7H-purin-9-yl)phenoxy]-N-methylacetamide
CID 59310047
9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-methoxyphenyl]-2-(2-hydroxyethylamino)-6-methoxy-7H-purin-8-one
CID 59310148
9-[2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(3-hydroxypropoxy)phenyl]-2-(fluoromethyl)-6-methoxy-7H-purin-8-one
CID 59309621
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-[2-(hydroxymethyl)-6-methoxy-8-oxo-7H-purin-9-yl]phenoxy]-N-methylacetamide
CID 59309812
ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-[6-methoxy-2-(methoxymethyl)-8-oxo-7H-purin-9-yl]phenoxy]acetate
CID 59310070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one (CID 25055215) is 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one is COc1cc(F)c(-n2c(=O)[nH]c3ccc(Cl)nc32)cc1OCc1c(OC)ccc(F)c1F.
What is the InChIKey of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RLDJFUBPSBHOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O4/c1-30-15-5-3-11(23)19(25)10(15)9-32-17-8-14(12(24)7-16(17)31-2)28-20-13(26-21(28)29)4-6-18(22)27-20/h3-8H,9H2,1-2H3,(H,26,29).
What are the key properties of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?
5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 465.82 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25055215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).