6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane

C27H32N6O3 — CID 155708047

IUPAC6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane
SMILESCC.Cc1cc(C(=O)O)cnc1N1CCN2C(C)CN(c3ccc(C#N)c4[nH]c(=O)ccc34)CC2C1
InChIInChI=1S/C25H26N6O3.C2H6/c1-15-9-18(25(33)34)11-27-24(15)29-7-8-31-16(2)12-30(14-19(31)13-29)21-5-3-17(10-26)23-20(21)4-6-22(32)28-23;1-2/h3-6,9,11,16,19H,7-8,12-14H2,1-2H3,(H,28,32)(H,33,34);1-2H3
InChIKeyNBBYKGKGYBAAHW-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.23
Rot. Bonds3

About 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane

6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane (PubChem CID 155708047) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane
PubChem CID155708047
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane
SMILESCC.Cc1cc(C(=O)O)cnc1N1CCN2C(C)CN(c3ccc(C#N)c4[nH]c(=O)ccc34)CC2C1
InChIInChI=1S/C25H26N6O3.C2H6/c1-15-9-18(25(33)34)11-27-24(15)29-7-8-31-16(2)12-30(14-19(31)13-29)21-5-3-17(10-26)23-20(21)4-6-22(32)28-23;1-2/h3-6,9,11,16,19H,7-8,12-14H2,1-2H3,(H,28,32)(H,33,34);1-2H3
InChIKeyNBBYKGKGYBAAHW-UHFFFAOYSA-N
XLogP3.23
TPSA116.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane with MolForge

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Launch Full Analysis

Related Compounds

5-[(4S)-4-methyl-8-[3-methyl-5-(6-methyl-2,6-diazaspiro[3.3]heptane-2-carbonyl)-2-pyridinyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-oxo-1H-quinoline-8-carbonitrile
CID 155205990
6-[(4R,9aR)-2-(8-cyano-2-deuterioquinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid
CID 155708054
5-[8-[2-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-oxo-1H-quinoline-8-carbonitrile
CID 155708074
5-[(4S)-4-methyl-8-(4-morpholin-2-ylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-oxo-1H-quinoline-8-carbonitrile
CID 155206227
6-(4-ethyl-3-methylpiperazin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632175
(4R,9aR)-2-(8-cyanoquinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid
CID 155192440
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423
5-[4-methyl-8-(2-piperazin-1-yl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155205766
5-[(4R,9aS)-4-methyl-8-(2-piperazin-1-yl-4-pyridinyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155205768
5-[2-methyl-6-(trifluoromethylsulfanyloxymethyl)morpholin-4-yl]-2-oxo-1H-quinoline-8-carbonitrile
CID 146275779
tert-butyl 4-[5-methyl-6-[4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-3-pyridinyl]piperazine-1-carboxylate;ethane
CID 155707998
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695

Frequently Asked Questions

What is the IUPAC name of 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane?
The IUPAC name of 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane (CID 155708047) is 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane?
The canonical SMILES for 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane is CC.Cc1cc(C(=O)O)cnc1N1CCN2C(C)CN(c3ccc(C#N)c4[nH]c(=O)ccc34)CC2C1.
What is the InChIKey of 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane?
The InChIKey is NBBYKGKGYBAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C2H6/c1-15-9-18(25(33)34)11-27-24(15)29-7-8-31-16(2)12-30(14-19(31)13-29)21-5-3-17(10-26)23-20(21)4-6-22(32)28-23;1-2/h3-6,9,11,16,19H,7-8,12-14H2,1-2H3,(H,28,32)(H,33,34);1-2H3.
What are the key properties of 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane?
6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane has a molecular weight of 488.59 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(8-cyano-2-oxo-1H-quinolin-5-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-5-methylpyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 155708047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).