1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone

C21H24N4O — CID 90145373

IUPAC1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2cccc(-c3c[nH]c4ccc(C)cc34)n2)CC1
InChIInChI=1S/C21H24N4O/c1-15-7-8-19-17(13-15)18(14-22-19)20-5-3-6-21(23-20)25-10-4-9-24(11-12-25)16(2)26/h3,5-8,13-14,22H,4,9-12H2,1-2H3
InChIKeyWMCFGKQNUFECJF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.60
Rot. Bonds2

About 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone

1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 90145373) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
PubChem CID90145373
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2cccc(-c3c[nH]c4ccc(C)cc34)n2)CC1
InChIInChI=1S/C21H24N4O/c1-15-7-8-19-17(13-15)18(14-22-19)20-5-3-6-21(23-20)25-10-4-9-24(11-12-25)16(2)26/h3,5-8,13-14,22H,4,9-12H2,1-2H3
InChIKeyWMCFGKQNUFECJF-UHFFFAOYSA-N
XLogP3.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362
1-[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55002941
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
1-[4-(6-hydrazinyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 80900082
1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
CID 136985979
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
2-(4-acetyl-1,4-diazepan-1-yl)-5-methylbenzoic acid
CID 62515359
2-methyl-1-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-one
CID 133482860
1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone
CID 110271393
2-(4-methylphenyl)-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67738528
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-[5-(5-methyl-1H-indol-3-yl)naphthalen-2-yl]methanone
CID 175640704
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 15675285

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone (CID 90145373) is 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(c2cccc(-c3c[nH]c4ccc(C)cc34)n2)CC1.
What is the InChIKey of 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is WMCFGKQNUFECJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-7-8-19-17(13-15)18(14-22-19)20-5-3-6-21(23-20)25-10-4-9-24(11-12-25)16(2)26/h3,5-8,13-14,22H,4,9-12H2,1-2H3.
What are the key properties of 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 90145373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).