(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

C20H12ClF3N4O3 — CID 135953418

IUPAC(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2N1
InChIInChI=1S/C20H12ClF3N4O3/c21-10-1-6-15-13(7-10)19(18(30)26-15)8-16(29)27-17-14(19)9-25-28(17)11-2-4-12(5-3-11)31-20(22,23)24/h1-7,9H,8H2,(H,26,30)(H,27,29)/t19-/m1/s1
InChIKeyMUWRORNMVIBYPS-LJQANCHMSA-N
MW448.79 g/mol
LogP4.00
Rot. Bonds2

About (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135953418) has the molecular formula C20H12ClF3N4O3 and a molecular weight of 448.79 g/mol. Its IUPAC name is (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135953418
Molecular FormulaC20H12ClF3N4O3
Molecular Weight448.79 g/mol
Exact Mass448.06
IUPAC Name(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2N1
InChIInChI=1S/C20H12ClF3N4O3/c21-10-1-6-15-13(7-10)19(18(30)26-15)8-16(29)27-17-14(19)9-25-28(17)11-2-4-12(5-3-11)31-20(22,23)24/h1-7,9H,8H2,(H,26,30)(H,27,29)/t19-/m1/s1
InChIKeyMUWRORNMVIBYPS-LJQANCHMSA-N
XLogP4.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.79
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione with MolForge

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Related Compounds

(3S)-7-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953467
(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950697
1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655611
1'-[(4-chlorophenyl)methyl]-5-methoxyspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136934952
5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136954869
(3R)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902237
(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902236
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
6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 137121903
(3R)-7-chloro-1'-(3-fluorophenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950814
(3R)-1'-(3,5-dimethylphenyl)-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135940703
(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902480

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135953418) is (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2N1.
What is the InChIKey of (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is MUWRORNMVIBYPS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H12ClF3N4O3/c21-10-1-6-15-13(7-10)19(18(30)26-15)8-16(29)27-17-14(19)9-25-28(17)11-2-4-12(5-3-11)31-20(22,23)24/h1-7,9H,8H2,(H,26,30)(H,27,29)/t19-/m1/s1.
What are the key properties of (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 448.79 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135953418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).