[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone

C24H25N5O — CID 109285489

IUPAC[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cnc(N2CCN(Cc3ccccc3)CC2)cn1)N1CCc2ccccc21
InChIInChI=1S/C24H25N5O/c30-24(29-11-10-20-8-4-5-9-22(20)29)21-16-26-23(17-25-21)28-14-12-27(13-15-28)18-19-6-2-1-3-7-19/h1-9,16-17H,10-15,18H2
InChIKeyUKUKHJWDELSEEC-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.00
Rot. Bonds4

About [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109285489) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109285489
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cnc(N2CCN(Cc3ccccc3)CC2)cn1)N1CCc2ccccc21
InChIInChI=1S/C24H25N5O/c30-24(29-11-10-20-8-4-5-9-22(20)29)21-16-26-23(17-25-21)28-14-12-27(13-15-28)18-19-6-2-1-3-7-19/h1-9,16-17H,10-15,18H2
InChIKeyUKUKHJWDELSEEC-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286410
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774
(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109193357
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047593
1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155110
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623

Frequently Asked Questions

What is the IUPAC name of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone (CID 109285489) is [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cnc(N2CCN(Cc3ccccc3)CC2)cn1)N1CCc2ccccc21.
What is the InChIKey of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is UKUKHJWDELSEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(29-11-10-20-8-4-5-9-22(20)29)21-16-26-23(17-25-21)28-14-12-27(13-15-28)18-19-6-2-1-3-7-19/h1-9,16-17H,10-15,18H2.
What are the key properties of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone?
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109285489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).