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

C17H16Cl2N4O3 — CID 53369715

IUPAC5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)N(C)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H16Cl2N4O3/c1-7(2)23-14-12(15(25)21-23)17(6-11(24)20-14)9-4-8(18)5-10(19)13(9)22(3)16(17)26/h4-5,7H,6H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDMPRQWHXUFOHGZ-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.67
Rot. Bonds1

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

5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (PubChem CID 53369715) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.

Molecular Properties

Compound Name5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
PubChem CID53369715
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC Name5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)N(C)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H16Cl2N4O3/c1-7(2)23-14-12(15(25)21-23)17(6-11(24)20-14)9-4-8(18)5-10(19)13(9)22(3)16(17)26/h4-5,7H,6H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDMPRQWHXUFOHGZ-UHFFFAOYSA-N
XLogP2.67
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The IUPAC name of 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (CID 53369715) is 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.
What is the SMILES notation for 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The canonical SMILES for 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is CC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)N(C)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The InChIKey is DMPRQWHXUFOHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c1-7(2)23-14-12(15(25)21-23)17(6-11(24)20-14)9-4-8(18)5-10(19)13(9)22(3)16(17)26/h4-5,7H,6H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione has a molecular weight of 395.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is sourced from PubChem (CID 53369715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).