1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one

C22H22N4O — CID 20941602

IUPAC1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCCc3c[nH]c4ccccc34)c2=O)cc1C
InChIInChI=1S/C22H22N4O/c1-15-7-8-18(13-16(15)2)26-12-11-24-21(22(26)27)23-10-9-17-14-25-20-6-4-3-5-19(17)20/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24)
InChIKeyMMFVXPXAECAEBE-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.99
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one

1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one (PubChem CID 20941602) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
PubChem CID20941602
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
SMILESCc1ccc(-n2ccnc(NCCc3c[nH]c4ccccc34)c2=O)cc1C
InChIInChI=1S/C22H22N4O/c1-15-7-8-18(13-16(15)2)26-12-11-24-21(22(26)27)23-10-9-17-14-25-20-6-4-3-5-19(17)20/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24)
InChIKeyMMFVXPXAECAEBE-UHFFFAOYSA-N
XLogP3.99
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
CID 46337577
3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
CID 20941598
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
1-(3-chloro-4-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017492
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 69184531
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 17435052

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one (CID 20941602) is 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one is Cc1ccc(-n2ccnc(NCCc3c[nH]c4ccccc34)c2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
The InChIKey is MMFVXPXAECAEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-7-8-18(13-16(15)2)26-12-11-24-21(22(26)27)23-10-9-17-14-25-20-6-4-3-5-19(17)20/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one?
1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one has a molecular weight of 358.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 20941602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).