2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide

C20H24N6O2 — CID 166210562

IUPAC2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)Cn3ccc4ccccc43)n2)CC1
InChIInChI=1S/C20H24N6O2/c1-23-10-12-24(13-11-23)20(28)15-26-9-7-18(22-26)21-19(27)14-25-8-6-16-4-2-3-5-17(16)25/h2-9H,10-15H2,1H3,(H,21,22,27)
InChIKeyAVIAQIVBNMNRRX-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.25
Rot. Bonds5

About 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide

2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide (PubChem CID 166210562) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide
PubChem CID166210562
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)Cn3ccc4ccccc43)n2)CC1
InChIInChI=1S/C20H24N6O2/c1-23-10-12-24(13-11-23)20(28)15-26-9-7-18(22-26)21-19(27)14-25-8-6-16-4-2-3-5-17(16)25/h2-9H,10-15H2,1H3,(H,21,22,27)
InChIKeyAVIAQIVBNMNRRX-UHFFFAOYSA-N
XLogP1.25
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide
CID 167775582
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 75515496
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide (CID 166210562) is 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide is CN1CCN(C(=O)Cn2ccc(NC(=O)Cn3ccc4ccccc43)n2)CC1.
What is the InChIKey of 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide?
The InChIKey is AVIAQIVBNMNRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-23-10-12-24(13-11-23)20(28)15-26-9-7-18(22-26)21-19(27)14-25-8-6-16-4-2-3-5-17(16)25/h2-9H,10-15H2,1H3,(H,21,22,27).
What are the key properties of 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide?
2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 166210562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).