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

C22H19ClN4O2 — CID 135940729

IUPAC(4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(Cn2ncc3c2NC(=O)C[C@]32C(=O)N(C)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H19ClN4O2/c1-13-3-5-14(6-4-13)12-27-20-17(11-24-27)22(10-19(28)25-20)16-9-15(23)7-8-18(16)26(2)21(22)29/h3-9,11H,10,12H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyMRUSEBRVSRKPBA-JOCHJYFZSA-N
MW406.87 g/mol
LogP3.50
Rot. Bonds2

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

(4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135940729) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is (4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135940729
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name(4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(Cn2ncc3c2NC(=O)C[C@]32C(=O)N(C)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H19ClN4O2/c1-13-3-5-14(6-4-13)12-27-20-17(11-24-27)22(10-19(28)25-20)16-9-15(23)7-8-18(16)26(2)21(22)29/h3-9,11H,10,12H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyMRUSEBRVSRKPBA-JOCHJYFZSA-N
XLogP3.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654953
5'-chloro-1-(2,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654722
1-(3-chlorophenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654947
6-chloro-1'-[(4-chlorophenyl)methyl]-5-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 137121903
1'-[(4-chlorophenyl)methyl]-5-methoxyspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136934952
(4R)-1',5'-dimethylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135898351
(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
(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135882829
1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655591
(4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940776
5'-bromo-1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654889

Frequently Asked Questions

What is the IUPAC name of (4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (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) is (4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is Cc1ccc(Cn2ncc3c2NC(=O)C[C@]32C(=O)N(C)c3ccc(Cl)cc32)cc1.
What is the InChIKey of (4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is MRUSEBRVSRKPBA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-13-3-5-14(6-4-13)12-27-20-17(11-24-27)22(10-19(28)25-20)16-9-15(23)7-8-18(16)26(2)21(22)29/h3-9,11H,10,12H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of (4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 406.87 g/mol, XLogP of 3.50, 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'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135940729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).