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

C24H24N4O3 — CID 135940862

IUPAC(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCOc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)cc1
InChIInChI=1S/C24H24N4O3/c1-15(2)14-27-20-7-5-4-6-18(20)24(23(27)30)12-21(29)26-22-19(24)13-25-28(22)16-8-10-17(31-3)11-9-16/h4-11,13,15H,12,14H2,1-3H3,(H,26,29)/t24-/m1/s1
InChIKeyQBPFACBOCOSPCE-XMMPIXPASA-N
MW416.48 g/mol
LogP3.51
Rot. Bonds4

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

(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135940862) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135940862
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCOc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)cc1
InChIInChI=1S/C24H24N4O3/c1-15(2)14-27-20-7-5-4-6-18(20)24(23(27)30)12-21(29)26-22-19(24)13-25-28(22)16-8-10-17(31-3)11-9-16/h4-11,13,15H,12,14H2,1-3H3,(H,26,29)/t24-/m1/s1
InChIKeyQBPFACBOCOSPCE-XMMPIXPASA-N
XLogP3.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135902670
1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654919
1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654613
(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953590
1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655611
(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
(4S)-7'-chloro-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953596
(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135953445
5'-bromo-1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654889
1-(4-chlorophenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655777

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135940862) is (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is COc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)cc1.
What is the InChIKey of (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is QBPFACBOCOSPCE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15(2)14-27-20-7-5-4-6-18(20)24(23(27)30)12-21(29)26-22-19(24)13-25-28(22)16-8-10-17(31-3)11-9-16/h4-11,13,15H,12,14H2,1-3H3,(H,26,29)/t24-/m1/s1.
What are the key properties of (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 416.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135940862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).