2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

C27H26N6O2 — CID 59085729

IUPAC2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C27H26N6O2/c1-18-14-32-26(29-12-9-20-7-4-6-19-5-2-3-8-23(19)20)27(35)33(18)17-25(34)31-15-22-13-21-10-11-28-24(21)16-30-22/h2-8,10-11,13-14,16,28H,9,12,15,17H2,1H3,(H,29,32)(H,31,34)
InChIKeyXAJOCAYAGFSLFA-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.55
Rot. Bonds8

About 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (PubChem CID 59085729) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
PubChem CID59085729
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C27H26N6O2/c1-18-14-32-26(29-12-9-20-7-4-6-19-5-2-3-8-23(19)20)27(35)33(18)17-25(34)31-15-22-13-21-10-11-28-24(21)16-30-22/h2-8,10-11,13-14,16,28H,9,12,15,17H2,1H3,(H,29,32)(H,31,34)
InChIKeyXAJOCAYAGFSLFA-UHFFFAOYSA-N
XLogP3.55
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[(3R,4S)-4-cyclopropylpyrrolidin-3-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085827
2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085556
2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085596
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-(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-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
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
N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 86291054
N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide
CID 70023566
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(2-naphthalen-1-ylethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 70249075

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (CID 59085729) is 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is Cc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.
What is the InChIKey of 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The InChIKey is XAJOCAYAGFSLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-18-14-32-26(29-12-9-20-7-4-6-19-5-2-3-8-23(19)20)27(35)33(18)17-25(34)31-15-22-13-21-10-11-28-24(21)16-30-22/h2-8,10-11,13-14,16,28H,9,12,15,17H2,1H3,(H,29,32)(H,31,34).
What are the key properties of 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide has a molecular weight of 466.55 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 59085729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).