1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H25N5O2 — CID 46592345

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H25N5O2/c28-21-13-18(15-27(21)19-5-4-16-2-1-3-17(16)12-19)22(29)26-10-8-25(9-11-26)20-14-23-6-7-24-20/h4-7,12,14,18H,1-3,8-11,13,15H2
InChIKeyYUUOYTVOBPVLJI-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.67
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 46592345) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID46592345
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H25N5O2/c28-21-13-18(15-27(21)19-5-4-16-2-1-3-17(16)12-19)22(29)26-10-8-25(9-11-26)20-14-23-6-7-24-20/h4-7,12,14,18H,1-3,8-11,13,15H2
InChIKeyYUUOYTVOBPVLJI-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 167890751
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46597619
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480294
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55642013
(4R)-1-(2,3-dihydro-1H-inden-5-yl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 31815896
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 139003437
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 46592345) is 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YUUOYTVOBPVLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21-13-18(15-27(21)19-5-4-16-2-1-3-17(16)12-19)22(29)26-10-8-25(9-11-26)20-14-23-6-7-24-20/h4-7,12,14,18H,1-3,8-11,13,15H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 391.48 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 46592345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).