N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide

C24H20N4O3S — CID 126475209

IUPACN-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CN3C(=O)CCC3=O)cc2)c2ccccc12)c1cccs1
InChIInChI=1S/C24H20N4O3S/c29-21-11-12-22(30)27(21)14-16-7-9-17(10-8-16)15-28-19-5-2-1-4-18(19)23(26-28)25-24(31)20-6-3-13-32-20/h1-10,13H,11-12,14-15H2,(H,25,26,31)
InChIKeyHPWWBWMMXTUDAW-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.05
Rot. Bonds6

About N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide

N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (PubChem CID 126475209) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
PubChem CID126475209
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CN3C(=O)CCC3=O)cc2)c2ccccc12)c1cccs1
InChIInChI=1S/C24H20N4O3S/c29-21-11-12-22(30)27(21)14-16-7-9-17(10-8-16)15-28-19-5-2-1-4-18(19)23(26-28)25-24(31)20-6-3-13-32-20/h1-10,13H,11-12,14-15H2,(H,25,26,31)
InChIKeyHPWWBWMMXTUDAW-UHFFFAOYSA-N
XLogP4.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-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

Related Compounds

N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide
CID 53164145
3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 118466718
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
CID 126603628
1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
CID 31520736
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide
CID 165350997
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 35341141

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (CID 126475209) is N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is O=C(Nc1nn(Cc2ccc(CN3C(=O)CCC3=O)cc2)c2ccccc12)c1cccs1.
What is the InChIKey of N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is HPWWBWMMXTUDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c29-21-11-12-22(30)27(21)14-16-7-9-17(10-8-16)15-28-19-5-2-1-4-18(19)23(26-28)25-24(31)20-6-3-13-32-20/h1-10,13H,11-12,14-15H2,(H,25,26,31).
What are the key properties of N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 126475209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).