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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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 16478638
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
(2'S,3R)-2'-[3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486217
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
Trans-N-{(1s)-1-[4-(3-Amino-2h-Indazol-6-Yl)pyridin-2-Yl]-2-Phenylethyl}-4-(Aminomethyl)cyclohexanecarboxamide
CID 86583041
Rhosin
CID 9552914

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).