1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one

C20H20N2O4 — CID 90721733

IUPAC1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CC2CC2)c2ccc(Oc3ccncc3)cc2C12OCCCO2
InChIInChI=1S/C20H20N2O4/c23-19-20(24-10-1-11-25-20)17-12-16(26-15-6-8-21-9-7-15)4-5-18(17)22(19)13-14-2-3-14/h4-9,12,14H,1-3,10-11,13H2
InChIKeyLHZXQGFKXOYXHE-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.22
Rot. Bonds4

About 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 90721733) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID90721733
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CC2CC2)c2ccc(Oc3ccncc3)cc2C12OCCCO2
InChIInChI=1S/C20H20N2O4/c23-19-20(24-10-1-11-25-20)17-12-16(26-15-6-8-21-9-7-15)4-5-18(17)22(19)13-14-2-3-14/h4-9,12,14H,1-3,10-11,13H2
InChIKeyLHZXQGFKXOYXHE-UHFFFAOYSA-N
XLogP3.22
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 90721733) is 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(CC2CC2)c2ccc(Oc3ccncc3)cc2C12OCCCO2.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is LHZXQGFKXOYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19-20(24-10-1-11-25-20)17-12-16(26-15-6-8-21-9-7-15)4-5-18(17)22(19)13-14-2-3-14/h4-9,12,14H,1-3,10-11,13H2.
What are the key properties of 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 352.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 90721733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).