(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione

C13H9ClN4O2 — CID 135898352

IUPAC(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@@]2(C(=O)Nc3c(Cl)cccc32)c2cn[nH]c2N1
InChIInChI=1S/C13H9ClN4O2/c14-8-3-1-2-6-10(8)17-12(20)13(6)4-9(19)16-11-7(13)5-15-18-11/h1-3,5H,4H2,(H,17,20)(H2,15,16,18,19)/t13-/m0/s1
InChIKeyQAAIUBJLDGREOK-ZDUSSCGKSA-N
MW288.69 g/mol
LogP1.64
Rot. Bonds

About (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione

(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135898352) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135898352
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@@]2(C(=O)Nc3c(Cl)cccc32)c2cn[nH]c2N1
InChIInChI=1S/C13H9ClN4O2/c14-8-3-1-2-6-10(8)17-12(20)13(6)4-9(19)16-11-7(13)5-15-18-11/h1-3,5H,4H2,(H,17,20)(H2,15,16,18,19)/t13-/m0/s1
InChIKeyQAAIUBJLDGREOK-ZDUSSCGKSA-N
XLogP1.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3S)-7-chloro-1'-(2-methylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950726
(3R)-7-chloro-1'-(3-fluorophenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950814
(4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135901623
(3S)-7-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953467
(3R)-1'-[(2-chlorophenyl)methyl]-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953827
(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135898239
(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135950497
(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953608
(4R)-1',5'-dimethylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135898351
(3R)-1'-(3,5-dimethylphenyl)-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135940703

Frequently Asked Questions

What is the IUPAC name of (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135898352) is (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione is O=C1C[C@@]2(C(=O)Nc3c(Cl)cccc32)c2cn[nH]c2N1.
What is the InChIKey of (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is QAAIUBJLDGREOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-8-3-1-2-6-10(8)17-12(20)13(6)4-9(19)16-11-7(13)5-15-18-11/h1-3,5H,4H2,(H,17,20)(H2,15,16,18,19)/t13-/m0/s1.
What are the key properties of (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 288.69 g/mol, XLogP of 1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135898352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).