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

C23H30N4O2 — CID 92593714

IUPAC2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1
InChIInChI=1S/C23H30N4O2/c1-3-29-19-9-7-17(8-10-19)14-22(28)27-13-11-20-18(16-27)15-24-23(25-20)21-6-4-5-12-26(21)2/h7-10,15,21H,3-6,11-14,16H2,1-2H3/t21-/m0/s1
InChIKeyJTGLJNHWCDRZLO-NRFANRHFSA-N
MW394.52 g/mol
LogP3.16
Rot. Bonds5

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

2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92593714) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92593714
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1
InChIInChI=1S/C23H30N4O2/c1-3-29-19-9-7-17(8-10-19)14-22(28)27-13-11-20-18(16-27)15-24-23(25-20)21-6-4-5-12-26(21)2/h7-10,15,21H,3-6,11-14,16H2,1-2H3/t21-/m0/s1
InChIKeyJTGLJNHWCDRZLO-NRFANRHFSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-1-[2-(1-methylpyrrolidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110241073
2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92557773
1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92593815
(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92593260
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)ethanone
CID 92557772
2-(4-methoxyphenyl)-1-[2-[(3S)-1-methylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92607931
1-[(2S)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 92557746
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 92549152
[(1S)-cyclohex-3-en-1-yl]-[2-[(2S)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 124820498
[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 92608142
1-[(2S)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92549708
1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110240399

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92593714) is 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is JTGLJNHWCDRZLO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-29-19-9-7-17(8-10-19)14-22(28)27-13-11-20-18(16-27)15-24-23(25-20)21-6-4-5-12-26(21)2/h7-10,15,21H,3-6,11-14,16H2,1-2H3/t21-/m0/s1.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92593714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).