2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C22H21BrN4O — CID 55953512

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C22H21BrN4O/c1-16-22(23)19-8-2-3-9-20(19)27(16)15-21(28)24-13-17-6-4-7-18(12-17)14-26-11-5-10-25-26/h2-12H,13-15H2,1H3,(H,24,28)
InChIKeyMAWXAQOKTFENRP-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.27
Rot. Bonds6

About 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55953512) has the molecular formula C22H21BrN4O and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55953512
Molecular FormulaC22H21BrN4O
Molecular Weight437.34 g/mol
Exact Mass436.09
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C22H21BrN4O/c1-16-22(23)19-8-2-3-9-20(19)27(16)15-21(28)24-13-17-6-4-7-18(12-17)14-26-11-5-10-25-26/h2-12H,13-15H2,1H3,(H,24,28)
InChIKeyMAWXAQOKTFENRP-UHFFFAOYSA-N
XLogP4.27
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
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4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
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CID 60520299
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CID 52661750
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 166306203
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55953512) is 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is MAWXAQOKTFENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O/c1-16-22(23)19-8-2-3-9-20(19)27(16)15-21(28)24-13-17-6-4-7-18(12-17)14-26-11-5-10-25-26/h2-12H,13-15H2,1H3,(H,24,28).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 437.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55953512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).