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

C25H24BrN5O3S — CID 46235475

IUPAC6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)cc1)c1ccc(Br)s1
InChIInChI=1S/C25H24BrN5O3S/c26-22-8-7-21(35-22)24(32)28-18-4-1-16(2-5-18)17-3-6-19-20(15-17)29-30-23(19)25(33)27-9-10-31-11-13-34-14-12-31/h1-8,15H,9-14H2,(H,27,33)(H,28,32)(H,29,30)
InChIKeyCJGGDOZUHHIFCT-UHFFFAOYSA-N
MW554.47 g/mol
LogP4.37
Rot. Bonds7

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

6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide (PubChem CID 46235475) has the molecular formula C25H24BrN5O3S and a molecular weight of 554.47 g/mol. Its IUPAC name is 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide
PubChem CID46235475
Molecular FormulaC25H24BrN5O3S
Molecular Weight554.47 g/mol
Exact Mass553.08
IUPAC Name6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)cc1)c1ccc(Br)s1
InChIInChI=1S/C25H24BrN5O3S/c26-22-8-7-21(35-22)24(32)28-18-4-1-16(2-5-18)17-3-6-19-20(15-17)29-30-23(19)25(33)27-9-10-31-11-13-34-14-12-31/h1-8,15H,9-14H2,(H,27,33)(H,28,32)(H,29,30)
InChIKeyCJGGDOZUHHIFCT-UHFFFAOYSA-N
XLogP4.37
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.47
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide (CID 46235475) is 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)cc1)c1ccc(Br)s1.
What is the InChIKey of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
The InChIKey is CJGGDOZUHHIFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O3S/c26-22-8-7-21(35-22)24(32)28-18-4-1-16(2-5-18)17-3-6-19-20(15-17)29-30-23(19)25(33)27-9-10-31-11-13-34-14-12-31/h1-8,15H,9-14H2,(H,27,33)(H,28,32)(H,29,30).
What are the key properties of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide has a molecular weight of 554.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 46235475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).