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

C24H25N5O — CID 109286387

IUPAC[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(N4CCc5ccccc54)cn3)CC2)c1
InChIInChI=1S/C24H25N5O/c1-18-5-4-7-20(15-18)27-11-13-28(14-12-27)24(30)21-16-26-23(17-25-21)29-10-9-19-6-2-3-8-22(19)29/h2-8,15-17H,9-14H2,1H3
InChIKeyGSZHTVOYHGLAGL-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.44
Rot. Bonds3

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

[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109286387) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109286387
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(N4CCc5ccccc54)cn3)CC2)c1
InChIInChI=1S/C24H25N5O/c1-18-5-4-7-20(15-18)27-11-13-28(14-12-27)24(30)21-16-26-23(17-25-21)29-10-9-19-6-2-3-8-22(19)29/h2-8,15-17H,9-14H2,1H3
InChIKeyGSZHTVOYHGLAGL-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286410
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109174375
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562
[5-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275086
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286388
5-(2,3-dihydroindol-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109288910
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280543
5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290481

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109286387) is [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cnc(N4CCc5ccccc54)cn3)CC2)c1.
What is the InChIKey of [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is GSZHTVOYHGLAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-18-5-4-7-20(15-18)27-11-13-28(14-12-27)24(30)21-16-26-23(17-25-21)29-10-9-19-6-2-3-8-22(19)29/h2-8,15-17H,9-14H2,1H3.
What are the key properties of [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109286387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).