4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one

C23H18F2N4O3S — CID 175731285

IUPAC4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILES[2H]C([2H])([2H])n1cc2cc(-c3cc4sc(OCC)nc4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C23H18F2N4O3S/c1-3-31-23-26-20-19(33-23)11-17(13-4-9-18-14(10-13)12-28(2)27-18)21(30)29(20)15-5-7-16(8-6-15)32-22(24)25/h4-12,22H,3H2,1-2H3/i2D3
InChIKeyVNZHMNOKWWDONI-BMSJAHLVSA-N
MW471.50 g/mol
LogP5.00
Rot. Bonds7

About 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one

4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 175731285) has the molecular formula C23H18F2N4O3S and a molecular weight of 471.50 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID175731285
Molecular FormulaC23H18F2N4O3S
Molecular Weight471.50 g/mol
Exact Mass471.13
IUPAC Name4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILES[2H]C([2H])([2H])n1cc2cc(-c3cc4sc(OCC)nc4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C23H18F2N4O3S/c1-3-31-23-26-20-19(33-23)11-17(13-4-9-18-14(10-13)12-28(2)27-18)21(30)29(20)15-5-7-16(8-6-15)32-22(24)25/h4-12,22H,3H2,1-2H3/i2D3
InChIKeyVNZHMNOKWWDONI-BMSJAHLVSA-N
XLogP5.00
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253611
2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253596
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253623
7-ethoxy-3-(2-methylindazol-5-yl)-1-(4-methylphenyl)-1,8-naphthyridin-2-one
CID 164841224
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253622
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
1-(1,3-benzothiazol-5-yl)-7-ethoxy-3-(2-methylindazol-5-yl)-1,8-naphthyridin-2-one
CID 155347907
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[(1-methylcyclopropyl)methoxymethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 156805197
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
CID 162620056
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 156805218

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 175731285) is 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one is [2H]C([2H])([2H])n1cc2cc(-c3cc4sc(OCC)nc4n(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is VNZHMNOKWWDONI-BMSJAHLVSA-N. The full InChI is InChI=1S/C23H18F2N4O3S/c1-3-31-23-26-20-19(33-23)11-17(13-4-9-18-14(10-13)12-28(2)27-18)21(30)29(20)15-5-7-16(8-6-15)32-22(24)25/h4-12,22H,3H2,1-2H3/i2D3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 471.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 175731285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).