[1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate

C23H26N4O5 — CID 156528744

IUPAC[1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate
SMILESCCC(=O)Nc1cncc(Oc2ccc3c(c2)c(COC(C)=O)nn3C2CCCCO2)c1
InChIInChI=1S/C23H26N4O5/c1-3-22(29)25-16-10-18(13-24-12-16)32-17-7-8-21-19(11-17)20(14-31-15(2)28)26-27(21)23-6-4-5-9-30-23/h7-8,10-13,23H,3-6,9,14H2,1-2H3,(H,25,29)
InChIKeyRHECWHNIKKZPJJ-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.33
Rot. Bonds7

About [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate

[1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate (PubChem CID 156528744) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate.

Molecular Properties

Compound Name[1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate
PubChem CID156528744
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name[1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate
SMILESCCC(=O)Nc1cncc(Oc2ccc3c(c2)c(COC(C)=O)nn3C2CCCCO2)c1
InChIInChI=1S/C23H26N4O5/c1-3-22(29)25-16-10-18(13-24-12-16)32-17-7-8-21-19(11-17)20(14-31-15(2)28)26-27(21)23-6-4-5-9-30-23/h7-8,10-13,23H,3-6,9,14H2,1-2H3,(H,25,29)
InChIKeyRHECWHNIKKZPJJ-UHFFFAOYSA-N
XLogP4.33
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate?
The IUPAC name of [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate (CID 156528744) is [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate.
What is the SMILES notation for [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate?
The canonical SMILES for [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate is CCC(=O)Nc1cncc(Oc2ccc3c(c2)c(COC(C)=O)nn3C2CCCCO2)c1.
What is the InChIKey of [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate?
The InChIKey is RHECWHNIKKZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-3-22(29)25-16-10-18(13-24-12-16)32-17-7-8-21-19(11-17)20(14-31-15(2)28)26-27(21)23-6-4-5-9-30-23/h7-8,10-13,23H,3-6,9,14H2,1-2H3,(H,25,29).
What are the key properties of [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate?
[1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate has a molecular weight of 438.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-yl)-5-[[5-(propanoylamino)-3-pyridinyl]oxy]indazol-3-yl]methyl acetate is sourced from PubChem (CID 156528744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).