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

C25H26N6O2 — CID 155708054

IUPAC6-[(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
SMILES[2H]c1ccc2c(N3C[C@@H]4CN(c5ncc(C(=O)O)cc5C)CCN4[C@H](C)C3)ccc(C#N)c2n1
InChIInChI=1S/C25H26N6O2/c1-16-10-19(25(32)33)12-28-24(16)29-8-9-31-17(2)13-30(15-20(31)14-29)22-6-5-18(11-26)23-21(22)4-3-7-27-23/h3-7,10,12,17,20H,8-9,13-15H2,1-2H3,(H,32,33)/t17-,20+/m1/s1/i7D
InChIKeyYJSMPXBZKQDGOV-OGJQRVQCSA-N
MW443.53 g/mol
LogP2.91
Rot. Bonds3

About 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

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 (PubChem CID 155708054) has the molecular formula C25H26N6O2 and a molecular weight of 443.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID155708054
Molecular FormulaC25H26N6O2
Molecular Weight443.53 g/mol
Exact Mass443.22
IUPAC Name6-[(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
SMILES[2H]c1ccc2c(N3C[C@@H]4CN(c5ncc(C(=O)O)cc5C)CCN4[C@H](C)C3)ccc(C#N)c2n1
InChIInChI=1S/C25H26N6O2/c1-16-10-19(25(32)33)12-28-24(16)29-8-9-31-17(2)13-30(15-20(31)14-29)22-6-5-18(11-26)23-21(22)4-3-7-27-23/h3-7,10,12,17,20H,8-9,13-15H2,1-2H3,(H,32,33)/t17-,20+/m1/s1/i7D
InChIKeyYJSMPXBZKQDGOV-OGJQRVQCSA-N
XLogP2.91
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
(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
5-[(4R,7S,8aS)-4-methyl-7-piperazin-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-deuterioquinoline-8-carbonitrile
CID 164578649
5-[(4R,9aS)-4-methyl-8-[(6-piperazin-1-yl-3-pyridinyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-deuterioquinoline-8-carbonitrile
CID 155191969
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
5-[(4R,9aS)-4-methyl-8-[2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-deuterioquinoline-8-carbonitrile
CID 155192100
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-[(4R,9aR)-8-[5-[2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]ethyl]-2-pyridinyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-deuterioquinoline-8-carbonitrile
CID 155192400
5-[(9aS)-8-[2-(3-aminoazetidin-1-yl)-4-pyridinyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155708046
5-[(2S,6R)-2-[[4-[5-(3-amino-3-methylazetidin-1-yl)-3-methyl-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]-2-deuterioquinoline-8-carbonitrile
CID 156702807
5-[(4R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 155192423

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1ccc2c(N3C[C@@H]4CN(c5ncc(C(=O)O)cc5C)CCN4[C@H](C)C3)ccc(C#N)c2n1.
What is the InChIKey of 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?
The InChIKey is YJSMPXBZKQDGOV-OGJQRVQCSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-10-19(25(32)33)12-28-24(16)29-8-9-31-17(2)13-30(15-20(31)14-29)22-6-5-18(11-26)23-21(22)4-3-7-27-23/h3-7,10,12,17,20H,8-9,13-15H2,1-2H3,(H,32,33)/t17-,20+/m1/s1/i7D.
What are the key properties of 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?
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 has a molecular weight of 443.53 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155708054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).