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

C16H14BrClN4O2 — CID 136899673

IUPAC(3R)-5-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)C[C@]21C(=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)/t16-/m1/s1
InChIKeyRNWGOCZSFZGBAY-MRXNPFEDSA-N
MW409.67 g/mol
LogP3.46
Rot. Bonds1

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

(3R)-5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 136899673) has the molecular formula C16H14BrClN4O2 and a molecular weight of 409.67 g/mol. Its IUPAC name is (3R)-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 Name(3R)-5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID136899673
Molecular FormulaC16H14BrClN4O2
Molecular Weight409.67 g/mol
Exact Mass408.00
IUPAC Name(3R)-5-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)C[C@]21C(=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)/t16-/m1/s1
InChIKeyRNWGOCZSFZGBAY-MRXNPFEDSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-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 (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) is (3R)-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 (3R)-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 (3R)-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)C[C@]21C(=O)Nc2c(Cl)cc(Br)cc21.
What is the InChIKey of (3R)-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-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of (3R)-5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3R)-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 (3R)-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 136899673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).