4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide

C28H26N6O2S — CID 67113731

IUPAC4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCOCC5)cc4)ccc32)cc1
InChIInChI=1S/C28H26N6O2S/c1-19-27(37-18-29-19)28(35)32-22-4-9-25(10-5-22)34-26-11-6-23(16-20(26)17-30-34)31-21-2-7-24(8-3-21)33-12-14-36-15-13-33/h2-11,16-18,31H,12-15H2,1H3,(H,32,35)
InChIKeyOJXWQODJSLZOJH-UHFFFAOYSA-N
MW510.62 g/mol
LogP5.62
Rot. Bonds6

About 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 67113731) has the molecular formula C28H26N6O2S and a molecular weight of 510.62 g/mol. Its IUPAC name is 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID67113731
Molecular FormulaC28H26N6O2S
Molecular Weight510.62 g/mol
Exact Mass510.18
IUPAC Name4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCOCC5)cc4)ccc32)cc1
InChIInChI=1S/C28H26N6O2S/c1-19-27(37-18-29-19)28(35)32-22-4-9-25(10-5-22)34-26-11-6-23(16-20(26)17-30-34)31-21-2-7-24(8-3-21)33-12-14-36-15-13-33/h2-11,16-18,31H,12-15H2,1H3,(H,32,35)
InChIKeyOJXWQODJSLZOJH-UHFFFAOYSA-N
XLogP5.62
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 67686823
N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67113374
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
N-[4-[5-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 67113281
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
3-methyl-N-(4-morpholin-4-ylphenyl)thiophen-2-amine
CID 174739915
4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122354948

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide (CID 67113731) is 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCOCC5)cc4)ccc32)cc1.
What is the InChIKey of 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OJXWQODJSLZOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2S/c1-19-27(37-18-29-19)28(35)32-22-4-9-25(10-5-22)34-26-11-6-23(16-20(26)17-30-34)31-21-2-7-24(8-3-21)33-12-14-36-15-13-33/h2-11,16-18,31H,12-15H2,1H3,(H,32,35).
What are the key properties of 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67113731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).