N-[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]pyridine-2-carboxamide

C26H29N7O4 — CID 118417327

IUPACN-[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]pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccccn1)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
InChIInChI=1S/C26H29N7O4/c1-16(2)21(29-22(34)20-6-4-5-11-27-20)23(35)32-12-9-26(10-13-32)24(36)31(3)25(37)33(26)18-7-8-19-17(14-18)15-28-30-19/h4-8,11,14-16,21H,9-10,12-13H2,1-3H3,(H,28,30)(H,29,34)
InChIKeyTWKSGEPTRAKZPK-UHFFFAOYSA-N
MW503.56 g/mol
LogP2.17
Rot. Bonds5

About N-[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]pyridine-2-carboxamide

N-[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]pyridine-2-carboxamide (PubChem CID 118417327) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is N-[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]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[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]pyridine-2-carboxamide
PubChem CID118417327
Molecular FormulaC26H29N7O4
Molecular Weight503.56 g/mol
Exact Mass503.23
IUPAC NameN-[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]pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccccn1)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1
InChIInChI=1S/C26H29N7O4/c1-16(2)21(29-22(34)20-6-4-5-11-27-20)23(35)32-12-9-26(10-13-32)24(36)31(3)25(37)33(26)18-7-8-19-17(14-18)15-28-30-19/h4-8,11,14-16,21H,9-10,12-13H2,1-3H3,(H,28,30)(H,29,34)
InChIKeyTWKSGEPTRAKZPK-UHFFFAOYSA-N
XLogP2.17
TPSA131.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[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]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[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]pyridine-2-carboxamide?
The IUPAC name of N-[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]pyridine-2-carboxamide (CID 118417327) is N-[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]pyridine-2-carboxamide.
What is the SMILES notation for N-[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]pyridine-2-carboxamide?
The canonical SMILES for N-[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]pyridine-2-carboxamide is CC(C)C(NC(=O)c1ccccn1)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[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]pyridine-2-carboxamide?
The InChIKey is TWKSGEPTRAKZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-16(2)21(29-22(34)20-6-4-5-11-27-20)23(35)32-12-9-26(10-13-32)24(36)31(3)25(37)33(26)18-7-8-19-17(14-18)15-28-30-19/h4-8,11,14-16,21H,9-10,12-13H2,1-3H3,(H,28,30)(H,29,34).
What are the key properties of N-[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]pyridine-2-carboxamide?
N-[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]pyridine-2-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[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]pyridine-2-carboxamide is sourced from PubChem (CID 118417327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).