N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C22H28N6O3 — CID 56550857

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n(-c2ccccn2)n1
InChIInChI=1S/C22H28N6O3/c1-21(2,3)15-14-17(28(26-15)16-8-4-7-12-23-16)24-18(29)9-13-27-19(30)22(25-20(27)31)10-5-6-11-22/h4,7-8,12,14H,5-6,9-11,13H2,1-3H3,(H,24,29)(H,25,31)
InChIKeyZFFSDEJPAQGGND-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.76
Rot. Bonds5

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 56550857) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID56550857
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n(-c2ccccn2)n1
InChIInChI=1S/C22H28N6O3/c1-21(2,3)15-14-17(28(26-15)16-8-4-7-12-23-16)24-18(29)9-13-27-19(30)22(25-20(27)31)10-5-6-11-22/h4,7-8,12,14H,5-6,9-11,13H2,1-3H3,(H,24,29)(H,25,31)
InChIKeyZFFSDEJPAQGGND-UHFFFAOYSA-N
XLogP2.76
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 38852167
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55555008
(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
CID 95279930
N'-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoyl]pyridine-2-carbohydrazide
CID 29259834
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide
CID 97257711
2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 56550857) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is CC(C)(C)c1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is ZFFSDEJPAQGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-21(2,3)15-14-17(28(26-15)16-8-4-7-12-23-16)24-18(29)9-13-27-19(30)22(25-20(27)31)10-5-6-11-22/h4,7-8,12,14H,5-6,9-11,13H2,1-3H3,(H,24,29)(H,25,31).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 424.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 56550857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).