N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C26H27N5O3 — CID 38852056

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(-c3ccccc3)nn1-c1ccccc1)C2=O
InChIInChI=1S/C26H27N5O3/c1-18-12-14-26(15-13-18)24(33)30(25(34)28-26)17-23(32)27-22-16-21(19-8-4-2-5-9-19)29-31(22)20-10-6-3-7-11-20/h2-11,16,18H,12-15,17H2,1H3,(H,27,32)(H,28,34)
InChIKeyOTPBIPLAWAWXOK-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.98
Rot. Bonds5

About N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 38852056) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID38852056
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(-c3ccccc3)nn1-c1ccccc1)C2=O
InChIInChI=1S/C26H27N5O3/c1-18-12-14-26(15-13-18)24(33)30(25(34)28-26)17-23(32)27-22-16-21(19-8-4-2-5-9-19)29-31(22)20-10-6-3-7-11-20/h2-11,16,18H,12-15,17H2,1H3,(H,27,32)(H,28,34)
InChIKeyOTPBIPLAWAWXOK-UHFFFAOYSA-N
XLogP3.98
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
CID 56520964
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]acetamide
CID 112805945
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 38852167
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55354818
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 38846218
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
methyl 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 2701716
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 38852056) is N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(-c3ccccc3)nn1-c1ccccc1)C2=O.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is OTPBIPLAWAWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-18-12-14-26(15-13-18)24(33)30(25(34)28-26)17-23(32)27-22-16-21(19-8-4-2-5-9-19)29-31(22)20-10-6-3-7-11-20/h2-11,16,18H,12-15,17H2,1H3,(H,27,32)(H,28,34).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 38852056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).