1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one

C20H21N3O2 — CID 160954151

IUPAC1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCCC3=O)c1)=NC2
InChIInChI=1S/C20H21N3O2/c1-13(2)25-16-6-5-15-12-22-20(17(15)11-16)14-7-8-21-18(10-14)23-9-3-4-19(23)24/h5-8,10-11,13H,3-4,9,12H2,1-2H3
InChIKeySWDSMRYYVBIQJI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds4

About 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one

1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 160954151) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID160954151
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCCC3=O)c1)=NC2
InChIInChI=1S/C20H21N3O2/c1-13(2)25-16-6-5-15-12-22-20(17(15)11-16)14-7-8-21-18(10-14)23-9-3-4-19(23)24/h5-8,10-11,13H,3-4,9,12H2,1-2H3
InChIKeySWDSMRYYVBIQJI-UHFFFAOYSA-N
XLogP3.35
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157482112
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
CID 158833367
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
CID 158939204
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 157372779
1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 159016860
1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one
CID 159105946
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 160734458
(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 159726399

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one (CID 160954151) is 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one is CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCCC3=O)c1)=NC2.
What is the InChIKey of 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is SWDSMRYYVBIQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)25-16-6-5-15-12-22-20(17(15)11-16)14-7-8-21-18(10-14)23-9-3-4-19(23)24/h5-8,10-11,13H,3-4,9,12H2,1-2H3.
What are the key properties of 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one?
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 160954151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).