2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide

C24H32N6O — CID 175994873

IUPAC2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
SMILESCN1CCN(C(C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)C2CCCCC2)CC1
InChIInChI=1S/C24H32N6O/c1-29-10-12-30(13-11-29)23(17-6-3-2-4-7-17)24(31)28-21-9-5-8-19-20(16-25-22(19)21)18-14-26-27-15-18/h5,8-9,14-17,23,25H,2-4,6-7,10-13H2,1H3,(H,26,27)(H,28,31)
InChIKeyMYAVEHZYCIQJHU-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.69
Rot. Bonds5

About 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide

2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide (PubChem CID 175994873) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
PubChem CID175994873
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
SMILESCN1CCN(C(C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)C2CCCCC2)CC1
InChIInChI=1S/C24H32N6O/c1-29-10-12-30(13-11-29)23(17-6-3-2-4-7-17)24(31)28-21-9-5-8-19-20(16-25-22(19)21)18-14-26-27-15-18/h5,8-9,14-17,23,25H,2-4,6-7,10-13H2,1H3,(H,26,27)(H,28,31)
InChIKeyMYAVEHZYCIQJHU-UHFFFAOYSA-N
XLogP3.69
TPSA80.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The IUPAC name of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide (CID 175994873) is 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide is CN1CCN(C(C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The InChIKey is MYAVEHZYCIQJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-29-10-12-30(13-11-29)23(17-6-3-2-4-7-17)24(31)28-21-9-5-8-19-20(16-25-22(19)21)18-14-26-27-15-18/h5,8-9,14-17,23,25H,2-4,6-7,10-13H2,1H3,(H,26,27)(H,28,31).
What are the key properties of 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide is sourced from PubChem (CID 175994873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).