2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C21H17BrN4O — CID 67309642

IUPAC2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3[nH]nc4ccc(Br)cc34)cc2)ccn1
InChIInChI=1S/C21H17BrN4O/c1-13-10-15(8-9-23-13)14-2-5-17(6-3-14)24-21(27)12-20-18-11-16(22)4-7-19(18)25-26-20/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyQECWKPTWJPXRSH-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.88
Rot. Bonds4

About 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 67309642) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID67309642
Molecular FormulaC21H17BrN4O
Molecular Weight421.30 g/mol
Exact Mass420.06
IUPAC Name2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3[nH]nc4ccc(Br)cc34)cc2)ccn1
InChIInChI=1S/C21H17BrN4O/c1-13-10-15(8-9-23-13)14-2-5-17(6-3-14)24-21(27)12-20-18-11-16(22)4-7-19(18)25-26-20/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyQECWKPTWJPXRSH-UHFFFAOYSA-N
XLogP4.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 67309642) is 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(NC(=O)Cc3[nH]nc4ccc(Br)cc34)cc2)ccn1.
What is the InChIKey of 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is QECWKPTWJPXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-13-10-15(8-9-23-13)14-2-5-17(6-3-14)24-21(27)12-20-18-11-16(22)4-7-19(18)25-26-20/h2-11H,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 421.30 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2H-indazol-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 67309642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).