3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide

C21H27N11O — CID 155950649

IUPAC3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide
SMILESCc1nc2nc(N)nn2c(C)c1CCC(=O)NCC1CCCN(c2nccn3cnnc23)C1
InChIInChI=1S/C21H27N11O/c1-13-16(14(2)32-21(26-13)27-20(22)29-32)5-6-17(33)24-10-15-4-3-8-30(11-15)18-19-28-25-12-31(19)9-7-23-18/h7,9,12,15H,3-6,8,10-11H2,1-2H3,(H2,22,29)(H,24,33)
InChIKeyKXNNNKHVHMNUMM-UHFFFAOYSA-N
MW449.52 g/mol
LogP0.73
Rot. Bonds6

About 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide

3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide (PubChem CID 155950649) has the molecular formula C21H27N11O and a molecular weight of 449.52 g/mol. Its IUPAC name is 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide
PubChem CID155950649
Molecular FormulaC21H27N11O
Molecular Weight449.52 g/mol
Exact Mass449.24
IUPAC Name3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide
SMILESCc1nc2nc(N)nn2c(C)c1CCC(=O)NCC1CCCN(c2nccn3cnnc23)C1
InChIInChI=1S/C21H27N11O/c1-13-16(14(2)32-21(26-13)27-20(22)29-32)5-6-17(33)24-10-15-4-3-8-30(11-15)18-19-28-25-12-31(19)9-7-23-18/h7,9,12,15H,3-6,8,10-11H2,1-2H3,(H2,22,29)(H,24,33)
InChIKeyKXNNNKHVHMNUMM-UHFFFAOYSA-N
XLogP0.73
TPSA144.52 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.52
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide with MolForge

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide
CID 166409235
(3S)-1-cycloheptyl-5-oxo-N-[[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]pyrrolidine-3-carboxamide
CID 98800843
1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 119934052
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide
CID 99626638
4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide
CID 119933987
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 48861803
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124948099
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9032613
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17415772
N-cyclopentyl-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 17445392
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide (CID 155950649) is 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide is Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC1CCCN(c2nccn3cnnc23)C1.
What is the InChIKey of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide?
The InChIKey is KXNNNKHVHMNUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N11O/c1-13-16(14(2)32-21(26-13)27-20(22)29-32)5-6-17(33)24-10-15-4-3-8-30(11-15)18-19-28-25-12-31(19)9-7-23-18/h7,9,12,15H,3-6,8,10-11H2,1-2H3,(H2,22,29)(H,24,33).
What are the key properties of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide?
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide has a molecular weight of 449.52 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 155950649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).