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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Related Compounds

N-[4-[1-(2-cyclopropylacetyl)indol-5-yl]oxy-2-pyridinyl]-3-(4-hydroxypiperidin-1-yl)propanamide
CID 58272968
1-(cyclopropylmethyl)-N-[4-[1-(2-phenylacetyl)indol-5-yl]oxy-2-pyridinyl]piperidine-4-carboxamide
CID 58272881
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
5-[[2-(morpholin-4-ylmethyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
CID 71183030
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
CID 58930818
1-[5-[1-(1-hexadecylpyrrolidin-2-yl)-2-pyridin-2-ylbenzimidazol-5-yl]oxy-2-pyridinyl]pyrrolidin-2-one
CID 67484560
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394638
5-[[2-[[(2R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10457251
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10344471
1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one
CID 102821869
1-[4-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one;hydrochloride
CID 119633021
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382

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).