2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide

C23H31N7O — CID 60509713

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCCCN3CCN(C)CC3c3ccccc3)nc2n1
InChIInChI=1S/C23H31N7O/c1-17-14-18(2)30-23(25-17)26-21(27-30)15-22(31)24-10-7-11-29-13-12-28(3)16-20(29)19-8-5-4-6-9-19/h4-6,8-9,14,20H,7,10-13,15-16H2,1-3H3,(H,24,31)
InChIKeyPMNOBTXJGIZSAA-UHFFFAOYSA-N
MW421.55 g/mol
LogP1.78
Rot. Bonds7

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 60509713) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID60509713
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCCCN3CCN(C)CC3c3ccccc3)nc2n1
InChIInChI=1S/C23H31N7O/c1-17-14-18(2)30-23(25-17)26-21(27-30)15-22(31)24-10-7-11-29-13-12-28(3)16-20(29)19-8-5-4-6-9-19/h4-6,8-9,14,20H,7,10-13,15-16H2,1-3H3,(H,24,31)
InChIKeyPMNOBTXJGIZSAA-UHFFFAOYSA-N
XLogP1.78
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333698
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620679
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 55620613
N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111211763
2-chloro-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-5-methylsulfanylbenzamide
CID 42957275
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
CID 125172240
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 86285398

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide (CID 60509713) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide is Cc1cc(C)n2nc(CC(=O)NCCCN3CCN(C)CC3c3ccccc3)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is PMNOBTXJGIZSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-17-14-18(2)30-23(25-17)26-21(27-30)15-22(31)24-10-7-11-29-13-12-28(3)16-20(29)19-8-5-4-6-9-19/h4-6,8-9,14,20H,7,10-13,15-16H2,1-3H3,(H,24,31).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 421.55 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 60509713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).