[4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C22H28N4O3 — CID 110243530

IUPAC[4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOCCOc1ccc(C(=O)N2CCc3nc(C4CCCCN4)ncc3C2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-12-13-29-18-7-5-16(6-8-18)22(27)26-11-9-19-17(15-26)14-24-21(25-19)20-4-2-3-10-23-20/h5-8,14,20,23H,2-4,9-13,15H2,1H3
InChIKeyFDLJERDYJHYAPI-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.51
Rot. Bonds6

About [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

[4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 110243530) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID110243530
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name[4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOCCOc1ccc(C(=O)N2CCc3nc(C4CCCCN4)ncc3C2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-12-13-29-18-7-5-16(6-8-18)22(27)26-11-9-19-17(15-26)14-24-21(25-19)20-4-2-3-10-23-20/h5-8,14,20,23H,2-4,9-13,15H2,1H3
InChIKeyFDLJERDYJHYAPI-UHFFFAOYSA-N
XLogP2.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(ethoxymethyl)phenyl]-[2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92593180
3-(4-methoxyphenyl)-1-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92595626
3-(4-methoxyphenyl)-1-[2-[(2S)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92595625
[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92584779
(5-propan-2-ylthiophen-3-yl)-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110241046
[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 92567817
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110240989
2-(3-methoxyphenyl)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92599423
3-methyl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92578997
3-methyl-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240958
isoquinolin-1-yl-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110240984
(2S)-2-(4-methylphenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92557935

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 110243530) is [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is COCCOc1ccc(C(=O)N2CCc3nc(C4CCCCN4)ncc3C2)cc1.
What is the InChIKey of [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is FDLJERDYJHYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-28-12-13-29-18-7-5-16(6-8-18)22(27)26-11-9-19-17(15-26)14-24-21(25-19)20-4-2-3-10-23-20/h5-8,14,20,23H,2-4,9-13,15H2,1H3.
What are the key properties of [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
[4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)phenyl]-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 110243530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).