3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide

C23H30FN7O — CID 134063036

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C23H30FN7O/c1-15-20(16(2)31-23(27-15)25-14-26-31)9-10-22(32)30(3)11-5-8-19-13-21(29-28-19)17-6-4-7-18(24)12-17/h4,6-7,12,14,19,21,28-29H,5,8-11,13H2,1-3H3
InChIKeyLQIZKSJDOGFZBP-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.66
Rot. Bonds8

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide (PubChem CID 134063036) has the molecular formula C23H30FN7O and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide
PubChem CID134063036
Molecular FormulaC23H30FN7O
Molecular Weight439.54 g/mol
Exact Mass439.25
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C23H30FN7O/c1-15-20(16(2)31-23(27-15)25-14-26-31)9-10-22(32)30(3)11-5-8-19-13-21(29-28-19)17-6-4-7-18(24)12-17/h4,6-7,12,14,19,21,28-29H,5,8-11,13H2,1-3H3
InChIKeyLQIZKSJDOGFZBP-UHFFFAOYSA-N
XLogP2.66
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide (CID 134063036) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide is Cc1nc2ncnn2c(C)c1CCC(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide?
The InChIKey is LQIZKSJDOGFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O/c1-15-20(16(2)31-23(27-15)25-14-26-31)9-10-22(32)30(3)11-5-8-19-13-21(29-28-19)17-6-4-7-18(24)12-17/h4,6-7,12,14,19,21,28-29H,5,8-11,13H2,1-3H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide has a molecular weight of 439.54 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylpropanamide is sourced from PubChem (CID 134063036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).