ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate

C17H16N4O4 — CID 108865659

IUPACethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H16N4O4/c1-2-24-17(23)25-14-7-5-12(6-8-14)19-16(22)20-13-4-3-11-10-18-21-15(11)9-13/h3-10H,2H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyBXCZFULMPPBASZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.74
Rot. Bonds4

About ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate

ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate (PubChem CID 108865659) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
PubChem CID108865659
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Nameethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H16N4O4/c1-2-24-17(23)25-14-7-5-12(6-8-14)19-16(22)20-13-4-3-11-10-18-21-15(11)9-13/h3-10H,2H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyBXCZFULMPPBASZ-UHFFFAOYSA-N
XLogP3.74
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide
CID 4782602
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate?
The IUPAC name of ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate (CID 108865659) is ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate.
What is the SMILES notation for ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate?
The canonical SMILES for ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate is CCOC(=O)Oc1ccc(NC(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate?
The InChIKey is BXCZFULMPPBASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-2-24-17(23)25-14-7-5-12(6-8-14)19-16(22)20-13-4-3-11-10-18-21-15(11)9-13/h3-10H,2H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate?
ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate has a molecular weight of 340.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate is sourced from PubChem (CID 108865659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).