(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

C20H15ClN4O3 — CID 135950697

IUPAC(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCOc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3cccc(Cl)c32)cc1
InChIInChI=1S/C20H15ClN4O3/c1-28-12-7-5-11(6-8-12)25-18-13(10-22-25)20(9-16(26)24-18)17-14(21)3-2-4-15(17)23-19(20)27/h2-8,10H,9H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyABZZPPLNMXFIMH-FQEVSTJZSA-N
MW394.82 g/mol
LogP3.11
Rot. Bonds2

About (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135950697) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135950697
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCOc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3cccc(Cl)c32)cc1
InChIInChI=1S/C20H15ClN4O3/c1-28-12-7-5-11(6-8-12)25-18-13(10-22-25)20(9-16(26)24-18)17-14(21)3-2-4-15(17)23-19(20)27/h2-8,10H,9H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyABZZPPLNMXFIMH-FQEVSTJZSA-N
XLogP3.11
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
(3S)-7-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953467
1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654613
(3R)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902237
(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902236
(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953418
(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940862
5'-bromo-1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654889
(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
(3R)-7-chloro-1'-(3-fluorophenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950814
(3S)-7-chloro-1'-(2-methylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950726

Frequently Asked Questions

What is the IUPAC name of (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135950697) is (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is COc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3cccc(Cl)c32)cc1.
What is the InChIKey of (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is ABZZPPLNMXFIMH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-28-12-7-5-11(6-8-12)25-18-13(10-22-25)20(9-16(26)24-18)17-14(21)3-2-4-15(17)23-19(20)27/h2-8,10H,9H2,1H3,(H,23,27)(H,24,26)/t20-/m0/s1.
What are the key properties of (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 394.82 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135950697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).