5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

C21H14FN5O3S — CID 135655807

IUPAC5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCOc1ccc2nc(-n3ncc4c3NC(=O)CC43C(=O)Nc4ccc(F)cc43)sc2c1
InChIInChI=1S/C21H14FN5O3S/c1-30-11-3-5-15-16(7-11)31-20(25-15)27-18-13(9-23-27)21(8-17(28)26-18)12-6-10(22)2-4-14(12)24-19(21)29/h2-7,9H,8H2,1H3,(H,24,29)(H,26,28)
InChIKeySGWGDGDUHFKVEA-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.21
Rot. Bonds2

About 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135655807) has the molecular formula C21H14FN5O3S and a molecular weight of 435.44 g/mol. Its IUPAC name is 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135655807
Molecular FormulaC21H14FN5O3S
Molecular Weight435.44 g/mol
Exact Mass435.08
IUPAC Name5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCOc1ccc2nc(-n3ncc4c3NC(=O)CC43C(=O)Nc4ccc(F)cc43)sc2c1
InChIInChI=1S/C21H14FN5O3S/c1-30-11-3-5-15-16(7-11)31-20(25-15)27-18-13(9-23-27)21(8-17(28)26-18)12-6-10(22)2-4-14(12)24-19(21)29/h2-7,9H,8H2,1H3,(H,24,29)(H,26,28)
InChIKeySGWGDGDUHFKVEA-UHFFFAOYSA-N
XLogP3.21
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione with MolForge

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Related Compounds

(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953641
(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
1'-[(4-chlorophenyl)methyl]-5-methoxyspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136934952
(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792970
(4R)-4-(2,3-dimethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792954
1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135655217
(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950697
(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953418
(4R)-4-(3-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793560
(4R)-4-(3-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792975
(4S)-4-(1,3-benzodioxol-5-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793002
(4R)-4-(2-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793559

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135655807) is 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is COc1ccc2nc(-n3ncc4c3NC(=O)CC43C(=O)Nc4ccc(F)cc43)sc2c1.
What is the InChIKey of 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is SGWGDGDUHFKVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O3S/c1-30-11-3-5-15-16(7-11)31-20(25-15)27-18-13(9-23-27)21(8-17(28)26-18)12-6-10(22)2-4-14(12)24-19(21)29/h2-7,9H,8H2,1H3,(H,24,29)(H,26,28).
What are the key properties of 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 435.44 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135655807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).