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

C22H26N4O3 — CID 92549155

IUPAC1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1
InChIInChI=1S/C22H26N4O3/c1-15(27)26-10-5-7-19(26)22-23-13-17-14-25(11-9-18(17)24-22)21(28)12-16-6-3-4-8-20(16)29-2/h3-4,6,8,13,19H,5,7,9-12,14H2,1-2H3/t19-/m0/s1
InChIKeyWALWWKYCNBMMQS-IBGZPJMESA-N
MW394.48 g/mol
LogP2.30
Rot. Bonds4

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

1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 92549155) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID92549155
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1
InChIInChI=1S/C22H26N4O3/c1-15(27)26-10-5-7-19(26)22-23-13-17-14-25(11-9-18(17)24-22)21(28)12-16-6-3-4-8-20(16)29-2/h3-4,6,8,13,19H,5,7,9-12,14H2,1-2H3/t19-/m0/s1
InChIKeyWALWWKYCNBMMQS-IBGZPJMESA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 92549152
1-[2-[(2S)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenyl)ethanone
CID 92549226
1-[2-[(2R)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549727
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)ethanone
CID 92557772
1-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 92549702
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-[(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-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylbutan-1-one
CID 110240685
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone (CID 92549155) is 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1.
What is the InChIKey of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is WALWWKYCNBMMQS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(27)26-10-5-7-19(26)22-23-13-17-14-25(11-9-18(17)24-22)21(28)12-16-6-3-4-8-20(16)29-2/h3-4,6,8,13,19H,5,7,9-12,14H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone?
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 394.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 92549155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).