2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

C27H32N6O3 — CID 59900530

IUPAC2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NCCc4cccc(OCCN)c4)c3=O)cc12
InChIInChI=1S/C27H32N6O3/c1-18-14-30-24-7-6-21(13-23(18)24)16-31-25(34)17-33-19(2)15-32-26(27(33)35)29-10-8-20-4-3-5-22(12-20)36-11-9-28/h3-7,12-15,30H,8-11,16-17,28H2,1-2H3,(H,29,32)(H,31,34)
InChIKeyBFRNSBJGORNCSF-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.65
Rot. Bonds11

About 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 59900530) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
PubChem CID59900530
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NCCc4cccc(OCCN)c4)c3=O)cc12
InChIInChI=1S/C27H32N6O3/c1-18-14-30-24-7-6-21(13-23(18)24)16-31-25(34)17-33-19(2)15-32-26(27(33)35)29-10-8-20-4-3-5-22(12-20)36-11-9-28/h3-7,12-15,30H,8-11,16-17,28H2,1-2H3,(H,29,32)(H,31,34)
InChIKeyBFRNSBJGORNCSF-UHFFFAOYSA-N
XLogP2.65
TPSA127.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 67603385
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 15491487
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-2-oxo-3-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrazin-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 18671888
2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 18470845
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797
N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclopropylmethylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 59085736
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 142659671
2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide
CID 23552220
2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide
CID 59085689

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (CID 59900530) is 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NCCc4cccc(OCCN)c4)c3=O)cc12.
What is the InChIKey of 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is BFRNSBJGORNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-18-14-30-24-7-6-21(13-23(18)24)16-31-25(34)17-33-19(2)15-32-26(27(33)35)29-10-8-20-4-3-5-22(12-20)36-11-9-28/h3-7,12-15,30H,8-11,16-17,28H2,1-2H3,(H,29,32)(H,31,34).
What are the key properties of 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 2.65, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 59900530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).