N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C24H32ClN7O — CID 3244686

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c(C)n2n1
InChIInChI=1S/C24H32ClN7O/c1-17-22(18(2)32-24(27-17)28-19(3)29-32)8-9-23(33)26-10-5-11-30-12-14-31(15-13-30)21-7-4-6-20(25)16-21/h4,6-7,16H,5,8-15H2,1-3H3,(H,26,33)
InChIKeyGXWZOOGNJIZESN-UHFFFAOYSA-N
MW470.02 g/mol
LogP2.96
Rot. Bonds8

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 3244686) has the molecular formula C24H32ClN7O and a molecular weight of 470.02 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID3244686
Molecular FormulaC24H32ClN7O
Molecular Weight470.02 g/mol
Exact Mass469.24
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c(C)n2n1
InChIInChI=1S/C24H32ClN7O/c1-17-22(18(2)32-24(27-17)28-19(3)29-32)8-9-23(33)26-10-5-11-30-12-14-31(15-13-30)21-7-4-6-20(25)16-21/h4,6-7,16H,5,8-15H2,1-3H3,(H,26,33)
InChIKeyGXWZOOGNJIZESN-UHFFFAOYSA-N
XLogP2.96
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 3244686) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc(C)c(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c(C)n2n1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is GXWZOOGNJIZESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN7O/c1-17-22(18(2)32-24(27-17)28-19(3)29-32)8-9-23(33)26-10-5-11-30-12-14-31(15-13-30)21-7-4-6-20(25)16-21/h4,6-7,16H,5,8-15H2,1-3H3,(H,26,33).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 470.02 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 3244686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).