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

C22H19ClN4O2 — CID 135882829

IUPAC(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)c2cc(C)ccc21
InChIInChI=1S/C22H19ClN4O2/c1-3-26-18-8-7-13(2)9-16(18)22(21(26)29)11-19(28)25-20-17(22)12-24-27(20)15-6-4-5-14(23)10-15/h4-10,12H,3,11H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyARRVLBNSHLATJJ-QFIPXVFZSA-N
MW406.87 g/mol
LogP3.83
Rot. Bonds2

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

(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135882829) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135882829
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)c2cc(C)ccc21
InChIInChI=1S/C22H19ClN4O2/c1-3-26-18-8-7-13(2)9-16(18)22(21(26)29)11-19(28)25-20-17(22)12-24-27(20)15-6-4-5-14(23)10-15/h4-10,12H,3,11H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyARRVLBNSHLATJJ-QFIPXVFZSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5'-chloro-1-(2,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654722
(4R)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941006
(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941005
1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655591
1-(3-chlorophenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655268
1-(3-chlorophenyl)-7'-methyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655296
2-[1-(3-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135655086
1-(3-chlorophenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654947
(4S)-7'-chloro-1-(3,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953756
(4S)-1'-ethyl-7'-methyl-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941042
1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654482
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135882829) is (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)c2cc(C)ccc21.
What is the InChIKey of (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is ARRVLBNSHLATJJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-3-26-18-8-7-13(2)9-16(18)22(21(26)29)11-19(28)25-20-17(22)12-24-27(20)15-6-4-5-14(23)10-15/h4-10,12H,3,11H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 406.87 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135882829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).