2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone

C20H29N5O2 — CID 58984585

IUPAC2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESCC(=O)c1ncc2c(n1)CCN(CC(=O)N1CCN3C(C)CCCC3C1)C2
InChIInChI=1S/C20H29N5O2/c1-14-4-3-5-17-12-24(8-9-25(14)17)19(27)13-23-7-6-18-16(11-23)10-21-20(22-18)15(2)26/h10,14,17H,3-9,11-13H2,1-2H3
InChIKeyOQZQUQNDMJTZNE-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.12
Rot. Bonds3

About 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone

2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 58984585) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
PubChem CID58984585
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESCC(=O)c1ncc2c(n1)CCN(CC(=O)N1CCN3C(C)CCCC3C1)C2
InChIInChI=1S/C20H29N5O2/c1-14-4-3-5-17-12-24(8-9-25(14)17)19(27)13-23-7-6-18-16(11-23)10-21-20(22-18)15(2)26/h10,14,17H,3-9,11-13H2,1-2H3
InChIKeyOQZQUQNDMJTZNE-UHFFFAOYSA-N
XLogP1.12
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone with MolForge

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Related Compounds

1-[(9aS)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 59463575
1-[(9aS)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
CID 59463558
2-[5-(hydroxymethylsulfanyl)-4-(methylideneamino)-3,6-dihydro-2H-pyridin-1-yl]-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 143541023
1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 92584211
1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-(azepan-1-yl)ethanone
CID 110241574
2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420752
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57420733
1-(4-cyclobutylpiperazin-1-yl)-2-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 57420613
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57421098
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57462232
1-[(3S)-3-methyl-4-(2-methylcyclopentyl)piperazin-1-yl]-2-(6-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57462227
2-[[6-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-methylamino]acetonitrile
CID 57421117

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone (CID 58984585) is 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone is CC(=O)c1ncc2c(n1)CCN(CC(=O)N1CCN3C(C)CCCC3C1)C2.
What is the InChIKey of 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is OQZQUQNDMJTZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-4-3-5-17-12-24(8-9-25(14)17)19(27)13-23-7-6-18-16(11-23)10-21-20(22-18)15(2)26/h10,14,17H,3-9,11-13H2,1-2H3.
What are the key properties of 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 371.49 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-(6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 58984585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).