methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate

C20H20N2O4 — CID 57425151

IUPACmethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cn(-c3cccc(C(=O)OC(C)(C)C)c3)nc12
InChIInChI=1S/C20H20N2O4/c1-20(2,3)26-18(23)13-7-5-9-15(11-13)22-12-14-8-6-10-16(17(14)21-22)19(24)25-4/h5-12H,1-4H3
InChIKeyHJPADHOBUWMSGZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.77
Rot. Bonds3

About methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate

methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate (PubChem CID 57425151) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate
PubChem CID57425151
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cn(-c3cccc(C(=O)OC(C)(C)C)c3)nc12
InChIInChI=1S/C20H20N2O4/c1-20(2,3)26-18(23)13-7-5-9-15(11-13)22-12-14-8-6-10-16(17(14)21-22)19(24)25-4/h5-12H,1-4H3
InChIKeyHJPADHOBUWMSGZ-UHFFFAOYSA-N
XLogP3.77
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate?
The IUPAC name of methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate (CID 57425151) is methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate.
What is the SMILES notation for methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate?
The canonical SMILES for methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate is COC(=O)c1cccc2cn(-c3cccc(C(=O)OC(C)(C)C)c3)nc12.
What is the InChIKey of methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate?
The InChIKey is HJPADHOBUWMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-20(2,3)26-18(23)13-7-5-9-15(11-13)22-12-14-8-6-10-16(17(14)21-22)19(24)25-4/h5-12H,1-4H3.
What are the key properties of methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate?
methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]indazole-7-carboxylate is sourced from PubChem (CID 57425151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).