2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide

C21H17N5O3 — CID 135901621

IUPAC2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)[C@]2(CC(=O)Nc3[nH]ncc32)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C21H17N5O3/c27-17-10-21(15-11-22-25-19(15)24-17)14-8-4-5-9-16(14)26(20(21)29)12-18(28)23-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,23,28)(H2,22,24,25,27)/t21-/m1/s1
InChIKeyQPCPUOOMDCSGHJ-OAQYLSRUSA-N
MW387.40 g/mol
LogP2.02
Rot. Bonds3

About 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide

2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide (PubChem CID 135901621) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide
PubChem CID135901621
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)[C@]2(CC(=O)Nc3[nH]ncc32)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C21H17N5O3/c27-17-10-21(15-11-22-25-19(15)24-17)14-8-4-5-9-16(14)26(20(21)29)12-18(28)23-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,23,28)(H2,22,24,25,27)/t21-/m1/s1
InChIKeyQPCPUOOMDCSGHJ-OAQYLSRUSA-N
XLogP2.02
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1'-prop-2-ynylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135901623
(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135950497
2-[(4R)-1-tert-butyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882908
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
(4R)-7'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135898239
(4S)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135898398
N-(4-bromophenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095563
2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135902197
2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135654541
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
N-(4-ethylphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144238
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide (CID 135901621) is 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide is O=C(CN1C(=O)[C@]2(CC(=O)Nc3[nH]ncc32)c2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide?
The InChIKey is QPCPUOOMDCSGHJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17N5O3/c27-17-10-21(15-11-22-25-19(15)24-17)14-8-4-5-9-16(14)26(20(21)29)12-18(28)23-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,23,28)(H2,22,24,25,27)/t21-/m1/s1.
What are the key properties of 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide?
2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide has a molecular weight of 387.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2',6-dioxospiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]-N-phenylacetamide is sourced from PubChem (CID 135901621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).