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

C20H14ClFN4O2 — CID 135882860

IUPAC(3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@]2(C(=O)Nc3ccc(F)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1
InChIInChI=1S/C20H14ClFN4O2/c21-12-3-1-11(2-4-12)10-26-18-15(9-23-26)20(8-17(27)25-18)14-7-13(22)5-6-16(14)24-19(20)28/h1-7,9H,8,10H2,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyARHUTLIKXYIOKY-HXUWFJFHSA-N
MW396.81 g/mol
LogP3.30
Rot. Bonds2

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

(3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135882860) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is (3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135882860
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name(3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@]2(C(=O)Nc3ccc(F)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1
InChIInChI=1S/C20H14ClFN4O2/c21-12-3-1-11(2-4-12)10-26-18-15(9-23-26)20(8-17(27)25-18)14-7-13(22)5-6-16(14)24-19(20)28/h1-7,9H,8,10H2,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyARHUTLIKXYIOKY-HXUWFJFHSA-N
XLogP3.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135882860) is (3R)-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 (3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is O=C1C[C@]2(C(=O)Nc3ccc(F)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1.
What is the InChIKey of (3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is ARHUTLIKXYIOKY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-12-3-1-11(2-4-12)10-26-18-15(9-23-26)20(8-17(27)25-18)14-7-13(22)5-6-16(14)24-19(20)28/h1-7,9H,8,10H2,(H,24,28)(H,25,27)/t20-/m1/s1.
What are the key properties of (3R)-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3R)-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 396.81 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-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 135882860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).