6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide

C20H15BrN4O2S — CID 68623655

IUPAC6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(NC(=O)c4ccc(Br)s4)cc3)ccc12
InChIInChI=1S/C20H15BrN4O2S/c1-22-20(27)18-14-7-4-12(10-15(14)24-25-18)11-2-5-13(6-3-11)23-19(26)16-8-9-17(21)28-16/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyQHUKQYYYWSJIHT-UHFFFAOYSA-N
MW455.34 g/mol
LogP4.67
Rot. Bonds4

About 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide

6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 68623655) has the molecular formula C20H15BrN4O2S and a molecular weight of 455.34 g/mol. Its IUPAC name is 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID68623655
Molecular FormulaC20H15BrN4O2S
Molecular Weight455.34 g/mol
Exact Mass454.01
IUPAC Name6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(NC(=O)c4ccc(Br)s4)cc3)ccc12
InChIInChI=1S/C20H15BrN4O2S/c1-22-20(27)18-14-7-4-12(10-15(14)24-25-18)11-2-5-13(6-3-11)23-19(26)16-8-9-17(21)28-16/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyQHUKQYYYWSJIHT-UHFFFAOYSA-N
XLogP4.67
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-Thienylcarbonylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22479821
3-[3-(2-(3-Thienyl)Acetylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22480074
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-(4-fluorophenyl)-1H-indazole-3-carboxamide
CID 44634844
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 44634845
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-(4-tert-butylphenyl)-1H-indazole-3-carboxamide
CID 44634847
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(1-benzothiophene-2-carbonylamino)-1H-indazole-3-carboxamide
CID 127042130
3(5-BR-2-Thienyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867167
3-(5-BR-2-Thienyl)-N'-(4-(diethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide
CID 44722293
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide
CID 4883070
1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 42477824
N-[(2S)-1-oxo-1-(thiophen-3-ylamino)propan-2-yl]-1H-indazole-3-carboxamide
CID 97570653
5-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 134143273

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide (CID 68623655) is 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3ccc(NC(=O)c4ccc(Br)s4)cc3)ccc12.
What is the InChIKey of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is QHUKQYYYWSJIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2S/c1-22-20(27)18-14-7-4-12(10-15(14)24-25-18)11-2-5-13(6-3-11)23-19(26)16-8-9-17(21)28-16/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide?
6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 455.34 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 68623655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).