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

C18H20N4O2 — CID 135953608

IUPAC(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCc1cccc2c1NC(=O)[C@@]21CC(=O)Nc2c1cnn2C(C)(C)C
InChIInChI=1S/C18H20N4O2/c1-10-6-5-7-11-14(10)21-16(24)18(11)8-13(23)20-15-12(18)9-19-22(15)17(2,3)4/h5-7,9H,8H2,1-4H3,(H,20,23)(H,21,24)/t18-/m0/s1
InChIKeyHXLLFTYYWBMLJV-SFHVURJKSA-N
MW324.38 g/mol
LogP2.53
Rot. Bonds

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

(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135953608) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135953608
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCc1cccc2c1NC(=O)[C@@]21CC(=O)Nc2c1cnn2C(C)(C)C
InChIInChI=1S/C18H20N4O2/c1-10-6-5-7-11-14(10)21-16(24)18(11)8-13(23)20-15-12(18)9-19-22(15)17(2,3)4/h5-7,9H,8H2,1-4H3,(H,20,23)(H,21,24)/t18-/m0/s1
InChIKeyHXLLFTYYWBMLJV-SFHVURJKSA-N
XLogP2.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1'-(3,5-dimethylphenyl)-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135940703
(3R)-1'-[(2-chlorophenyl)methyl]-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953827
(3S)-7-chloro-1'-(2-methylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950726
(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
(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953590
2-[(4R)-1-tert-butyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882908
(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'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953467
1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655683
(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902480
(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135898352

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135953608) is (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is Cc1cccc2c1NC(=O)[C@@]21CC(=O)Nc2c1cnn2C(C)(C)C.
What is the InChIKey of (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is HXLLFTYYWBMLJV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-6-5-7-11-14(10)21-16(24)18(11)8-13(23)20-15-12(18)9-19-22(15)17(2,3)4/h5-7,9H,8H2,1-4H3,(H,20,23)(H,21,24)/t18-/m0/s1.
What are the key properties of (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 324.38 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135953608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).