(3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione

C16H14Cl2N4O3 — CID 95389555

IUPAC(3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@]21C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H14Cl2N4O3/c1-6(2)22-13-11(14(24)21-22)16(5-10(23)19-13)8-3-7(17)4-9(18)12(8)20-15(16)25/h3-4,6H,5H2,1-2H3,(H,19,23)(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyCFUKHZARBQEBDW-INIZCTEOSA-N
MW381.22 g/mol
LogP2.64
Rot. Bonds1

About (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione

(3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione (PubChem CID 95389555) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione.

Molecular Properties

Compound Name(3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione
PubChem CID95389555
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name(3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@]21C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C16H14Cl2N4O3/c1-6(2)22-13-11(14(24)21-22)16(5-10(23)19-13)8-3-7(17)4-9(18)12(8)20-15(16)25/h3-4,6H,5H2,1-2H3,(H,19,23)(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyCFUKHZARBQEBDW-INIZCTEOSA-N
XLogP2.64
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
The IUPAC name of (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione (CID 95389555) is (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione.
What is the SMILES notation for (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
The canonical SMILES for (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione is CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@]21C(=O)Nc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
The InChIKey is CFUKHZARBQEBDW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c1-6(2)22-13-11(14(24)21-22)16(5-10(23)19-13)8-3-7(17)4-9(18)12(8)20-15(16)25/h3-4,6H,5H2,1-2H3,(H,19,23)(H,20,25)(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
(3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione has a molecular weight of 381.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,7-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione is sourced from PubChem (CID 95389555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).