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

C21H16Cl2N4O2 — CID 135940673

IUPAC(4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H16Cl2N4O2/c1-26-17-7-6-14(23)8-15(17)21(20(26)29)9-18(28)25-19-16(21)10-24-27(19)11-12-2-4-13(22)5-3-12/h2-8,10H,9,11H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyDQUNEBLYBSKGGA-OAQYLSRUSA-N
MW427.29 g/mol
LogP3.84
Rot. Bonds2

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

(4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135940673) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135940673
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name(4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H16Cl2N4O2/c1-26-17-7-6-14(23)8-15(17)21(20(26)29)9-18(28)25-19-16(21)10-24-27(19)11-12-2-4-13(22)5-3-12/h2-8,10H,9,11H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyDQUNEBLYBSKGGA-OAQYLSRUSA-N
XLogP3.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135940673) is (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)c2cc(Cl)ccc21.
What is the InChIKey of (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is DQUNEBLYBSKGGA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-26-17-7-6-14(23)8-15(17)21(20(26)29)9-18(28)25-19-16(21)10-24-27(19)11-12-2-4-13(22)5-3-12/h2-8,10H,9,11H2,1H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 427.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5'-chloro-1-[(4-chlorophenyl)methyl]-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135940673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).