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

C21H28N6O2S — CID 110262425

IUPAC1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C3CCCCN3C(=O)c3scnc3C)nc(N(C)C)c2C1
InChIInChI=1S/C21H28N6O2S/c1-13-18(30-12-22-13)21(29)27-9-6-5-7-17(27)19-23-16-8-10-26(14(2)28)11-15(16)20(24-19)25(3)4/h12,17H,5-11H2,1-4H3
InChIKeyGAKMGARYWSMZAU-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.58
Rot. Bonds3

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

1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 110262425) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID110262425
Molecular FormulaC21H28N6O2S
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC Name1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C3CCCCN3C(=O)c3scnc3C)nc(N(C)C)c2C1
InChIInChI=1S/C21H28N6O2S/c1-13-18(30-12-22-13)21(29)27-9-6-5-7-17(27)19-23-16-8-10-26(14(2)28)11-15(16)20(24-19)25(3)4/h12,17H,5-11H2,1-4H3
InChIKeyGAKMGARYWSMZAU-UHFFFAOYSA-N
XLogP2.58
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92624553
1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95832445
2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide
CID 92624697
N,N,4-trimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247824
1-[(3R)-3-[4-(methylamino)-6-(4-methyl-1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92624811
[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 110262435
1-[(3R)-3-[4-(methylamino)-7-(4-methyl-1,3-thiazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92623662
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-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110262476
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
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 110262425) is 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(C3CCCCN3C(=O)c3scnc3C)nc(N(C)C)c2C1.
What is the InChIKey of 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is GAKMGARYWSMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-13-18(30-12-22-13)21(29)27-9-6-5-7-17(27)19-23-16-8-10-26(14(2)28)11-15(16)20(24-19)25(3)4/h12,17H,5-11H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 428.56 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 110262425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).