1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one

C22H21N3O3 — CID 58272542

IUPAC1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Oc2ccc3c(ccn3C(=O)CC3CC3)c2)ccn1
InChIInChI=1S/C22H21N3O3/c26-21-2-1-10-25(21)20-14-18(7-9-23-20)28-17-5-6-19-16(13-17)8-11-24(19)22(27)12-15-3-4-15/h5-9,11,13-15H,1-4,10,12H2
InChIKeyJKQAMNWZRJXQPJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.40
Rot. Bonds5

About 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one

1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one (PubChem CID 58272542) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one
PubChem CID58272542
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Oc2ccc3c(ccn3C(=O)CC3CC3)c2)ccn1
InChIInChI=1S/C22H21N3O3/c26-21-2-1-10-25(21)20-14-18(7-9-23-20)28-17-5-6-19-16(13-17)8-11-24(19)22(27)12-15-3-4-15/h5-9,11,13-15H,1-4,10,12H2
InChIKeyJKQAMNWZRJXQPJ-UHFFFAOYSA-N
XLogP4.40
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one (CID 58272542) is 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one is O=C1CCCN1c1cc(Oc2ccc3c(ccn3C(=O)CC3CC3)c2)ccn1.
What is the InChIKey of 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is JKQAMNWZRJXQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21-2-1-10-25(21)20-14-18(7-9-23-20)28-17-5-6-19-16(13-17)8-11-24(19)22(27)12-15-3-4-15/h5-9,11,13-15H,1-4,10,12H2.
What are the key properties of 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one?
1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 375.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 58272542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).