5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one

C18H26N8O3 — CID 163310719

IUPAC5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C(=O)c1nn(C)c(=O)[nH]1)CC2
InChIInChI=1S/C18H26N8O3/c1-23(2)17-19-13-6-9-26(16(28)14-20-18(29)24(3)22-14)10-12(13)15(21-17)25-7-4-11(27)5-8-25/h11,27H,4-10H2,1-3H3,(H,20,22,29)
InChIKeyMABMJZCVTIJWEW-UHFFFAOYSA-N
MW402.46 g/mol
LogP-0.88
Rot. Bonds3

About 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one

5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 163310719) has the molecular formula C18H26N8O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID163310719
Molecular FormulaC18H26N8O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC Name5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C(=O)c1nn(C)c(=O)[nH]1)CC2
InChIInChI=1S/C18H26N8O3/c1-23(2)17-19-13-6-9-26(16(28)14-20-18(29)24(3)22-14)10-12(13)15(21-17)25-7-4-11(27)5-8-25/h11,27H,4-10H2,1-3H3,(H,20,22,29)
InChIKeyMABMJZCVTIJWEW-UHFFFAOYSA-N
XLogP-0.88
TPSA123.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one with MolForge

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Related Compounds

cyclobutyl-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 70773707
(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one
CID 97194745
2-methyl-5-(pyrrolidine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849730
1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56884871
1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56889598
1-[2-(dimethylamino)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56902374
[2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
CID 46050600
5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 156585711
1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625622
N-(2-methoxyethyl)-N-methyl-6-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166615623
2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050901
1-[2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 42855530

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one (CID 163310719) is 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one is CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(C(=O)c1nn(C)c(=O)[nH]1)CC2.
What is the InChIKey of 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is MABMJZCVTIJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O3/c1-23(2)17-19-13-6-9-26(16(28)14-20-18(29)24(3)22-14)10-12(13)15(21-17)25-7-4-11(27)5-8-25/h11,27H,4-10H2,1-3H3,(H,20,22,29).
What are the key properties of 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 402.46 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 163310719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).