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

C24H25N5O — CID 109286410

IUPAC2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
SMILESCc1cccc(N2CCN(c3cnc(C(=O)N4CCc5ccccc54)cn3)CC2)c1
InChIInChI=1S/C24H25N5O/c1-18-5-4-7-20(15-18)27-11-13-28(14-12-27)23-17-25-21(16-26-23)24(30)29-10-9-19-6-2-3-8-22(19)29/h2-8,15-17H,9-14H2,1H3
InChIKeyIITOQVXWNSNYQR-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.31
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone (PubChem CID 109286410) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
PubChem CID109286410
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
SMILESCc1cccc(N2CCN(c3cnc(C(=O)N4CCc5ccccc54)cn3)CC2)c1
InChIInChI=1S/C24H25N5O/c1-18-5-4-7-20(15-18)27-11-13-28(14-12-27)23-17-25-21(16-26-23)24(30)29-10-9-19-6-2-3-8-22(19)29/h2-8,15-17H,9-14H2,1H3
InChIKeyIITOQVXWNSNYQR-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286387
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263
2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109174375
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109290400
2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 50779103
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155110
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone (CID 109286410) is 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone is Cc1cccc(N2CCN(c3cnc(C(=O)N4CCc5ccccc54)cn3)CC2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
The InChIKey is IITOQVXWNSNYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-18-5-4-7-20(15-18)27-11-13-28(14-12-27)23-17-25-21(16-26-23)24(30)29-10-9-19-6-2-3-8-22(19)29/h2-8,15-17H,9-14H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone is sourced from PubChem (CID 109286410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).