1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one

C24H24N4O3 — CID 130323752

IUPAC1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c(C)cccc21
InChIInChI=1S/C24H24N4O3/c1-15-4-3-5-20-21(15)24(23(31)28(20)14-16(2)29)8-10-27(11-9-24)22(30)17-6-7-19-18(12-17)13-25-26-19/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,26)
InChIKeyPUBAFOPYQWMJAE-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.98
Rot. Bonds3

About 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one

1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 130323752) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID130323752
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c(C)cccc21
InChIInChI=1S/C24H24N4O3/c1-15-4-3-5-20-21(15)24(23(31)28(20)14-16(2)29)8-10-27(11-9-24)22(30)17-6-7-19-18(12-17)13-25-26-19/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,26)
InChIKeyPUBAFOPYQWMJAE-UHFFFAOYSA-N
XLogP2.98
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1'-(1H-indazole-5-carbonyl)-1-[2-oxo-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]spiro[indole-3,4'-piperidine]-2-one
CID 130323545
4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 145350446
4-chloro-1'-(1H-indazole-5-carbonyl)-1-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[indole-3,4'-piperidine]-2-one
CID 130301873
2-[4-bromo-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 130323550
1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 153001096
3-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540544
1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146607
8-(1H-indazole-5-carbonyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540406
1-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 52933949
4'-bromo-4-(1H-indazol-5-yloxy)-1'-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]spiro[cyclohexane-1,3'-indole]-2'-one
CID 176975488
4-bromo-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,3-dipropylindol-2-one;1-(1H-indazol-5-yl)ethanone
CID 145350424
4-bromo-1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 130323576

Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one (CID 130323752) is 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one is CC(=O)CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c(C)cccc21.
What is the InChIKey of 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PUBAFOPYQWMJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-4-3-5-20-21(15)24(23(31)28(20)14-16(2)29)8-10-27(11-9-24)22(30)17-6-7-19-18(12-17)13-25-26-19/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,26).
What are the key properties of 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one?
1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 416.48 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 130323752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).