3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone

C24H23N5O — CID 109284033

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCCc2c[nH]c3ccccc23)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C24H23N5O/c30-24(29-12-10-17-5-1-2-6-19(17)16-29)22-14-28-23(15-27-22)25-11-9-18-13-26-21-8-4-3-7-20(18)21/h1-8,13-15,26H,9-12,16H2,(H,25,28)
InChIKeyYRPJVCCCDXCPOD-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.81
Rot. Bonds5

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone (PubChem CID 109284033) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone
PubChem CID109284033
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCCc2c[nH]c3ccccc23)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C24H23N5O/c30-24(29-12-10-17-5-1-2-6-19(17)16-29)22-14-28-23(15-27-22)25-11-9-18-13-26-21-8-4-3-7-20(18)21/h1-8,13-15,26H,9-12,16H2,(H,25,28)
InChIKeyYRPJVCCCDXCPOD-UHFFFAOYSA-N
XLogP3.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]methanone
CID 109191971
2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
CID 109159706
3,4-dihydro-1H-isoquinolin-2-yl-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277620
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
CID 109281425
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280515
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26404261
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109284060
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone (CID 109284033) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone is O=C(c1cnc(NCCc2c[nH]c3ccccc23)cn1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone?
The InChIKey is YRPJVCCCDXCPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(29-12-10-17-5-1-2-6-19(17)16-29)22-14-28-23(15-27-22)25-11-9-18-13-26-21-8-4-3-7-20(18)21/h1-8,13-15,26H,9-12,16H2,(H,25,28).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone is sourced from PubChem (CID 109284033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).