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

C20H13Cl2FN4O2 — CID 137121903

IUPAC6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1CC2(C(=O)Nc3cc(Cl)c(F)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1
InChIInChI=1S/C20H13Cl2FN4O2/c21-11-3-1-10(2-4-11)9-27-18-13(8-24-27)20(7-17(28)26-18)12-5-15(23)14(22)6-16(12)25-19(20)29/h1-6,8H,7,9H2,(H,25,29)(H,26,28)
InChIKeyXTHBDFCHPVPJRT-UHFFFAOYSA-N
MW431.25 g/mol
LogP3.96
Rot. Bonds2

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

6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 137121903) has the molecular formula C20H13Cl2FN4O2 and a molecular weight of 431.25 g/mol. Its IUPAC name is 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID137121903
Molecular FormulaC20H13Cl2FN4O2
Molecular Weight431.25 g/mol
Exact Mass430.04
IUPAC Name6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1CC2(C(=O)Nc3cc(Cl)c(F)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1
InChIInChI=1S/C20H13Cl2FN4O2/c21-11-3-1-10(2-4-11)9-27-18-13(8-24-27)20(7-17(28)26-18)12-5-15(23)14(22)6-16(12)25-19(20)29/h1-6,8H,7,9H2,(H,25,29)(H,26,28)
InChIKeyXTHBDFCHPVPJRT-UHFFFAOYSA-N
XLogP3.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione with MolForge

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Related Compounds

(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
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
5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione
CID 123652132
(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
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)-1'-[(2-chlorophenyl)methyl]-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953827
(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953505
1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135655217
(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136899854
(3R)-7-chloro-1'-(3-fluorophenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950814
1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654953

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 137121903) is 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is O=C1CC2(C(=O)Nc3cc(Cl)c(F)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1.
What is the InChIKey of 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is XTHBDFCHPVPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN4O2/c21-11-3-1-10(2-4-11)9-27-18-13(8-24-27)20(7-17(28)26-18)12-5-15(23)14(22)6-16(12)25-19(20)29/h1-6,8H,7,9H2,(H,25,29)(H,26,28).
What are the key properties of 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 431.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 137121903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).