N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C22H27N5O3 — CID 97138494

IUPACN-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C22H27N5O3/c1-22(2,3)14-7-9-15(10-8-14)27-18-6-4-5-17(16(18)11-24-27)25-19(28)13-26-20(29)12-23-21(26)30/h7-11,17H,4-6,12-13H2,1-3H3,(H,23,30)(H,25,28)/t17-/m1/s1
InChIKeyNKJFLKLWPFUEKI-QGZVFWFLSA-N
MW409.49 g/mol
LogP2.22
Rot. Bonds4

About N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 97138494) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID97138494
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C22H27N5O3/c1-22(2,3)14-7-9-15(10-8-14)27-18-6-4-5-17(16(18)11-24-27)25-19(28)13-26-20(29)12-23-21(26)30/h7-11,17H,4-6,12-13H2,1-3H3,(H,23,30)(H,25,28)/t17-/m1/s1
InChIKeyNKJFLKLWPFUEKI-QGZVFWFLSA-N
XLogP2.22
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.22
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-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 45171550
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 26321264
2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 23723477
N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide
CID 42243752
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide
CID 42243753
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylsulfanylpropanamide
CID 45207838
N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 42401773
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxy-2-methylpropanamide
CID 45191398
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45182228
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-2-ynamide
CID 45224994
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 45179254

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 97138494) is N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is NKJFLKLWPFUEKI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-22(2,3)14-7-9-15(10-8-14)27-18-6-4-5-17(16(18)11-24-27)25-19(28)13-26-20(29)12-23-21(26)30/h7-11,17H,4-6,12-13H2,1-3H3,(H,23,30)(H,25,28)/t17-/m1/s1.
What are the key properties of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 97138494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).