5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

C16H14BrClN4O2 — CID 135634452

IUPAC5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCC(C)n1ncc2c1NC(=O)CC21C(=O)Nc2c(Cl)cc(Br)cc21
InChIInChI=1S/C16H14BrClN4O2/c1-7(2)22-14-10(6-19-22)16(5-12(23)20-14)9-3-8(17)4-11(18)13(9)21-15(16)24/h3-4,6-7H,5H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRNWGOCZSFZGBAY-UHFFFAOYSA-N
MW409.67 g/mol
LogP3.46
Rot. Bonds1

About 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135634452) has the molecular formula C16H14BrClN4O2 and a molecular weight of 409.67 g/mol. Its IUPAC name is 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135634452
Molecular FormulaC16H14BrClN4O2
Molecular Weight409.67 g/mol
Exact Mass408.00
IUPAC Name5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCC(C)n1ncc2c1NC(=O)CC21C(=O)Nc2c(Cl)cc(Br)cc21
InChIInChI=1S/C16H14BrClN4O2/c1-7(2)22-14-10(6-19-22)16(5-12(23)20-14)9-3-8(17)4-11(18)13(9)21-15(16)24/h3-4,6-7H,5H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRNWGOCZSFZGBAY-UHFFFAOYSA-N
XLogP3.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136899673
(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136899854
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
(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
(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953608
(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-chlorophenyl)methyl]-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953827
(3S)-1'-[(2-chlorophenyl)methyl]-5-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953475
(3S)-7-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953467

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135634452) is 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is CC(C)n1ncc2c1NC(=O)CC21C(=O)Nc2c(Cl)cc(Br)cc21.
What is the InChIKey of 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is RNWGOCZSFZGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4O2/c1-7(2)22-14-10(6-19-22)16(5-12(23)20-14)9-3-8(17)4-11(18)13(9)21-15(16)24/h3-4,6-7H,5H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 409.67 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135634452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).