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]-3-(trifluoromethyl)benzamide

C28H29F3N6O4 — CID 118417600

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]-3-(trifluoromethyl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
InChIInChI=1S/C28H29F3N6O4/c1-16(2)22(33-23(38)17-5-4-6-19(13-17)28(29,30)31)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)20-7-8-21-18(14-20)15-32-34-21/h4-8,13-16,22H,9-12H2,1-3H3,(H,32,34)(H,33,38)/t22-/m1/s1
InChIKeyTXQTVHLHNXMKAX-JOCHJYFZSA-N
MW570.57 g/mol
LogP3.80
Rot. Bonds5

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]-3-(trifluoromethyl)benzamide

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]-3-(trifluoromethyl)benzamide (PubChem CID 118417600) has the molecular formula C28H29F3N6O4 and a molecular weight of 570.57 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]-3-(trifluoromethyl)benzamide.

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]-3-(trifluoromethyl)benzamide
PubChem CID118417600
Molecular FormulaC28H29F3N6O4
Molecular Weight570.57 g/mol
Exact Mass570.22
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]-3-(trifluoromethyl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
InChIInChI=1S/C28H29F3N6O4/c1-16(2)22(33-23(38)17-5-4-6-19(13-17)28(29,30)31)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)20-7-8-21-18(14-20)15-32-34-21/h4-8,13-16,22H,9-12H2,1-3H3,(H,32,34)(H,33,38)/t22-/m1/s1
InChIKeyTXQTVHLHNXMKAX-JOCHJYFZSA-N
XLogP3.80
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
CID 118417573
Gsk180736A
CID 11233873
4-[3-[(2,6-difluorophenyl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888942
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
(4s)-4-(4-Fluorophenyl)-N-(2h-Indazol-5-Yl)-6-Methyl-2-Oxo-1,2,3,4-Tetrahydropyrimidine-5-Carboxamide
CID 117072130
CID 118888905
CID 118888905
2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide
CID 134540391
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
4-[3-[(2,6-dimethylphenyl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 77105902
US10233182, Example 214
CID 118417475
US10233182, Example 68
CID 118417552
US10233182, Example 61
CID 118417808

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]-3-(trifluoromethyl)benzamide?
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]-3-(trifluoromethyl)benzamide (CID 118417600) 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]-3-(trifluoromethyl)benzamide.
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]-3-(trifluoromethyl)benzamide?
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]-3-(trifluoromethyl)benzamide is CC(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)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]-3-(trifluoromethyl)benzamide?
The InChIKey is TXQTVHLHNXMKAX-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H29F3N6O4/c1-16(2)22(33-23(38)17-5-4-6-19(13-17)28(29,30)31)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)20-7-8-21-18(14-20)15-32-34-21/h4-8,13-16,22H,9-12H2,1-3H3,(H,32,34)(H,33,38)/t22-/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]-3-(trifluoromethyl)benzamide?
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]-3-(trifluoromethyl)benzamide has a molecular weight of 570.57 g/mol, XLogP of 3.80, 5 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]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118417600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).