2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide

C23H21N5O3 — CID 135654541

IUPAC2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESCCc1ccccc1-n1ncc2c1NC(=O)CC21C(=O)N(CC(N)=O)c2ccccc21
InChIInChI=1S/C23H21N5O3/c1-2-14-7-3-5-9-17(14)28-21-16(12-25-28)23(11-20(30)26-21)15-8-4-6-10-18(15)27(22(23)31)13-19(24)29/h3-10,12H,2,11,13H2,1H3,(H2,24,29)(H,26,30)
InChIKeyOIHONBCIARYZSS-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.89
Rot. Bonds4

About 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide

2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (PubChem CID 135654541) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
PubChem CID135654541
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESCCc1ccccc1-n1ncc2c1NC(=O)CC21C(=O)N(CC(N)=O)c2ccccc21
InChIInChI=1S/C23H21N5O3/c1-2-14-7-3-5-9-17(14)28-21-16(12-25-28)23(11-20(30)26-21)15-8-4-6-10-18(15)27(22(23)31)13-19(24)29/h3-10,12H,2,11,13H2,1H3,(H2,24,29)(H,26,30)
InChIKeyOIHONBCIARYZSS-UHFFFAOYSA-N
XLogP1.89
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135902197
2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135953767
2-[(4R)-1-tert-butyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882908
2-[1-(3-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135655086
2-[(4S)-1-(1,3-benzothiazol-2-yl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135953734
1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654543
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
(4S)-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135902670
1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655611
(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953590
1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654919

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The IUPAC name of 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (CID 135654541) is 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is CCc1ccccc1-n1ncc2c1NC(=O)CC21C(=O)N(CC(N)=O)c2ccccc21.
What is the InChIKey of 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The InChIKey is OIHONBCIARYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-2-14-7-3-5-9-17(14)28-21-16(12-25-28)23(11-20(30)26-21)15-8-4-6-10-18(15)27(22(23)31)13-19(24)29/h3-10,12H,2,11,13H2,1H3,(H2,24,29)(H,26,30).
What are the key properties of 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 135654541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).