1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone

C21H25N5O3 — CID 92549227

IUPAC1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cn1
InChIInChI=1S/C21H25N5O3/c1-14(27)26-9-4-3-5-18(26)20-23-12-16-13-25(10-8-17(16)24-20)21(28)15-6-7-19(29-2)22-11-15/h6-7,11-12,18H,3-5,8-10,13H2,1-2H3/t18-/m0/s1
InChIKeyDCJKVXCCWTVPPA-SFHVURJKSA-N
MW395.46 g/mol
LogP2.15
Rot. Bonds3

About 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone

1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 92549227) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID92549227
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cn1
InChIInChI=1S/C21H25N5O3/c1-14(27)26-9-4-3-5-18(26)20-23-12-16-13-25(10-8-17(16)24-20)21(28)15-6-7-19(29-2)22-11-15/h6-7,11-12,18H,3-5,8-10,13H2,1-2H3/t18-/m0/s1
InChIKeyDCJKVXCCWTVPPA-SFHVURJKSA-N
XLogP2.15
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-[6-(3-methoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92549157
1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 110240662
1-[2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549532
1-[2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240476
1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110240675
(4S)-4-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-1-ethylpyrrolidin-2-one
CID 92591186
1-[2-[(2S)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 98135305
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone
CID 92549155
1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549727
(2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 92562645
1-[2-[(2S)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenyl)ethanone
CID 92549226
(2R)-1-[2-[(2S)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 92562644

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 92549227) is 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is COc1ccc(C(=O)N2CCc3nc([C@@H]4CCCCN4C(C)=O)ncc3C2)cn1.
What is the InChIKey of 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is DCJKVXCCWTVPPA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14(27)26-9-4-3-5-18(26)20-23-12-16-13-25(10-8-17(16)24-20)21(28)15-6-7-19(29-2)22-11-15/h6-7,11-12,18H,3-5,8-10,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?
1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 395.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-(6-methoxypyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92549227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).