5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

C23H20Cl2N4O2 — CID 136954869

IUPAC5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCC(C)C(c1ccc(Cl)cc1)n1ncc2c1NC(=O)CC21C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C23H20Cl2N4O2/c1-12(2)20(13-3-5-14(24)6-4-13)29-21-17(11-26-29)23(10-19(30)28-21)16-9-15(25)7-8-18(16)27-22(23)31/h3-9,11-12,20H,10H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyNSHKSRWMXVFUMF-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.02
Rot. Bonds3

About 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 136954869) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID136954869
Molecular FormulaC23H20Cl2N4O2
Molecular Weight455.35 g/mol
Exact Mass454.10
IUPAC Name5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCC(C)C(c1ccc(Cl)cc1)n1ncc2c1NC(=O)CC21C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C23H20Cl2N4O2/c1-12(2)20(13-3-5-14(24)6-4-13)29-21-17(11-26-29)23(10-19(30)28-21)16-9-15(25)7-8-18(16)27-22(23)31/h3-9,11-12,20H,10H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyNSHKSRWMXVFUMF-UHFFFAOYSA-N
XLogP5.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136899854
1'-[(4-chlorophenyl)methyl]-5-methoxyspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136934952
(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
(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953418
(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
5-bromo-7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135634452
6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 137121903
(4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione
CID 136954870
5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione
CID 123652132
(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902480
(4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940729
(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953608

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of 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) is 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is CC(C)C(c1ccc(Cl)cc1)n1ncc2c1NC(=O)CC21C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is NSHKSRWMXVFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c1-12(2)20(13-3-5-14(24)6-4-13)29-21-17(11-26-29)23(10-19(30)28-21)16-9-15(25)7-8-18(16)27-22(23)31/h3-9,11-12,20H,10H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 455.35 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[1-(4-chlorophenyl)-2-methylpropyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 136954869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).