benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate

C23H26N4O3 — CID 90771041

IUPACbenzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C23H26N4O3/c1-27(23(29)30-15-16-5-3-2-4-6-16)20-10-8-19(9-11-20)25-22(28)17-7-12-21-18(13-17)14-24-26-21/h2-7,12-14,19-20H,8-11,15H2,1H3,(H,24,26)(H,25,28)
InChIKeyWMTZZDPLDSNCNL-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.87
Rot. Bonds5

About benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate

benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate (PubChem CID 90771041) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate
PubChem CID90771041
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Namebenzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C23H26N4O3/c1-27(23(29)30-15-16-5-3-2-4-6-16)20-10-8-19(9-11-20)25-22(28)17-7-12-21-18(13-17)14-24-26-21/h2-7,12-14,19-20H,8-11,15H2,1H3,(H,24,26)(H,25,28)
InChIKeyWMTZZDPLDSNCNL-UHFFFAOYSA-N
XLogP3.87
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate (CID 90771041) is benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CCC(NC(=O)c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate?
The InChIKey is WMTZZDPLDSNCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-27(23(29)30-15-16-5-3-2-4-6-16)20-10-8-19(9-11-20)25-22(28)17-7-12-21-18(13-17)14-24-26-21/h2-7,12-14,19-20H,8-11,15H2,1H3,(H,24,26)(H,25,28).
What are the key properties of benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate?
benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate has a molecular weight of 406.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 90771041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).