methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate

C26H24N2O3 — CID 22559222

IUPACmethyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC2Cc3ccccc3C2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C26H24N2O3/c1-30-26(29)11-7-17-6-10-25(31-22-14-18-4-2-3-5-19(18)15-22)23(12-17)20-8-9-24-21(13-20)16-27-28-24/h2-6,8-10,12-13,16,22H,7,11,14-15H2,1H3,(H,27,28)
InChIKeyDPVBCHODOXMYEC-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.88
Rot. Bonds6

About methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate

methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate (PubChem CID 22559222) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate
PubChem CID22559222
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Namemethyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC2Cc3ccccc3C2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C26H24N2O3/c1-30-26(29)11-7-17-6-10-25(31-22-14-18-4-2-3-5-19(18)15-22)23(12-17)20-8-9-24-21(13-20)16-27-28-24/h2-6,8-10,12-13,16,22H,7,11,14-15H2,1H3,(H,27,28)
InChIKeyDPVBCHODOXMYEC-UHFFFAOYSA-N
XLogP4.88
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate (CID 22559222) is methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate is COC(=O)CCc1ccc(OC2Cc3ccccc3C2)c(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate?
The InChIKey is DPVBCHODOXMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-30-26(29)11-7-17-6-10-25(31-22-14-18-4-2-3-5-19(18)15-22)23(12-17)20-8-9-24-21(13-20)16-27-28-24/h2-6,8-10,12-13,16,22H,7,11,14-15H2,1H3,(H,27,28).
What are the key properties of methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate?
methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate has a molecular weight of 412.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(1H-indazol-5-yl)phenyl]propanoate is sourced from PubChem (CID 22559222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).