N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide

C27H25N5O2S — CID 67112992

IUPACN-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide
SMILESCN(CCO)c1ccc(Nc2ccc(-n3ncc4cc(NC(=O)c5cccs5)ccc43)cc2)cc1
InChIInChI=1S/C27H25N5O2S/c1-31(14-15-33)23-9-4-20(5-10-23)29-21-6-11-24(12-7-21)32-25-13-8-22(17-19(25)18-28-32)30-27(34)26-3-2-16-35-26/h2-13,16-18,29,33H,14-15H2,1H3,(H,30,34)
InChIKeyVIXAWOMYSQFGRS-UHFFFAOYSA-N
MW483.60 g/mol
LogP5.51
Rot. Bonds8

About N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide

N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide (PubChem CID 67112992) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide
PubChem CID67112992
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC NameN-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide
SMILESCN(CCO)c1ccc(Nc2ccc(-n3ncc4cc(NC(=O)c5cccs5)ccc43)cc2)cc1
InChIInChI=1S/C27H25N5O2S/c1-31(14-15-33)23-9-4-20(5-10-23)29-21-6-11-24(12-7-21)32-25-13-8-22(17-19(25)18-28-32)30-27(34)26-3-2-16-35-26/h2-13,16-18,29,33H,14-15H2,1H3,(H,30,34)
InChIKeyVIXAWOMYSQFGRS-UHFFFAOYSA-N
XLogP5.51
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.60
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide (CID 67112992) is N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide is CN(CCO)c1ccc(Nc2ccc(-n3ncc4cc(NC(=O)c5cccs5)ccc43)cc2)cc1.
What is the InChIKey of N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide?
The InChIKey is VIXAWOMYSQFGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-31(14-15-33)23-9-4-20(5-10-23)29-21-6-11-24(12-7-21)32-25-13-8-22(17-19(25)18-28-32)30-27(34)26-3-2-16-35-26/h2-13,16-18,29,33H,14-15H2,1H3,(H,30,34).
What are the key properties of N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide?
N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide has a molecular weight of 483.60 g/mol, XLogP of 5.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-[2-hydroxyethyl(methyl)amino]anilino]phenyl]indazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67112992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).