N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide

C25H34N6O4 — CID 118417480

IUPACN-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
InChIInChI=1S/C25H34N6O4/c1-15(2)19(27-21(33)24(3,4)5)20(32)30-11-9-25(10-12-30)22(34)29(6)23(35)31(25)17-7-8-18-16(13-17)14-26-28-18/h7-8,13-15,19H,9-12H2,1-6H3,(H,26,28)(H,27,33)/t19-/m1/s1
InChIKeyDEJMCQZHWIOHMD-LJQANCHMSA-N
MW482.59 g/mol
LogP2.51
Rot. Bonds4

About N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide

N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 118417480) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide
PubChem CID118417480
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC NameN-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
InChIInChI=1S/C25H34N6O4/c1-15(2)19(27-21(33)24(3,4)5)20(32)30-11-9-25(10-12-30)22(34)29(6)23(35)31(25)17-7-8-18-16(13-17)14-26-28-18/h7-8,13-15,19H,9-12H2,1-6H3,(H,26,28)(H,27,33)/t19-/m1/s1
InChIKeyDEJMCQZHWIOHMD-LJQANCHMSA-N
XLogP2.51
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide (CID 118417480) is N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide is CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is DEJMCQZHWIOHMD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-15(2)19(27-21(33)24(3,4)5)20(32)30-11-9-25(10-12-30)22(34)29(6)23(35)31(25)17-7-8-18-16(13-17)14-26-28-18/h7-8,13-15,19H,9-12H2,1-6H3,(H,26,28)(H,27,33)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?
N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 482.59 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118417480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).