1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one

C19H30N6O2 — CID 91365054

IUPAC1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one
SMILESCNc1nc(C)nc2c(CCCCCCC(=O)N3CCC(O)CC3)cnn12
InChIInChI=1S/C19H30N6O2/c1-14-22-18-15(13-21-25(18)19(20-2)23-14)7-5-3-4-6-8-17(27)24-11-9-16(26)10-12-24/h13,16,26H,3-12H2,1-2H3,(H,20,22,23)
InChIKeyBQUGBPBHJPHGRZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.95
Rot. Bonds8

About 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one

1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one (PubChem CID 91365054) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one
PubChem CID91365054
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one
SMILESCNc1nc(C)nc2c(CCCCCCC(=O)N3CCC(O)CC3)cnn12
InChIInChI=1S/C19H30N6O2/c1-14-22-18-15(13-21-25(18)19(20-2)23-14)7-5-3-4-6-8-17(27)24-11-9-16(26)10-12-24/h13,16,26H,3-12H2,1-2H3,(H,20,22,23)
InChIKeyBQUGBPBHJPHGRZ-UHFFFAOYSA-N
XLogP1.95
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 98019491
4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid
CID 156513507
1-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 111561727
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
1-(3-hydroxypyrrolidin-1-yl)tridecane-1,12-dione
CID 134480941
6-(4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119544131
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43416045
piperidin-4-yl 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylate
CID 163568736
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-ethoxybutan-1-one
CID 56805694

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one (CID 91365054) is 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one is CNc1nc(C)nc2c(CCCCCCC(=O)N3CCC(O)CC3)cnn12.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one?
The InChIKey is BQUGBPBHJPHGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-14-22-18-15(13-21-25(18)19(20-2)23-14)7-5-3-4-6-8-17(27)24-11-9-16(26)10-12-24/h13,16,26H,3-12H2,1-2H3,(H,20,22,23).
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one?
1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one has a molecular weight of 374.49 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-7-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]heptan-1-one is sourced from PubChem (CID 91365054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).