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

C20H20F4N6O — CID 133440214

IUPACN-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCc1nc2ncnn2c(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)c1C
InChIInChI=1S/C20H20F4N6O/c1-11-12(2)27-19-25-10-26-30(19)17(11)29-8-7-15(13-3-5-14(21)6-4-13)16(9-29)28-18(31)20(22,23)24/h3-6,10,15-16H,7-9H2,1-2H3,(H,28,31)
InChIKeyZOGNNFJLZJSFKK-UHFFFAOYSA-N
MW436.41 g/mol
LogP2.92
Rot. Bonds3

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

N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 133440214) has the molecular formula C20H20F4N6O and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID133440214
Molecular FormulaC20H20F4N6O
Molecular Weight436.41 g/mol
Exact Mass436.16
IUPAC NameN-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCc1nc2ncnn2c(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)c1C
InChIInChI=1S/C20H20F4N6O/c1-11-12(2)27-19-25-10-26-30(19)17(11)29-8-7-15(13-3-5-14(21)6-4-13)16(9-29)28-18(31)20(22,23)24/h3-6,10,15-16H,7-9H2,1-2H3,(H,28,31)
InChIKeyZOGNNFJLZJSFKK-UHFFFAOYSA-N
XLogP2.92
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133440290
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(7H-purin-6-yl)piperidin-3-yl]acetamide
CID 133440250
N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440232
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 163347900
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
CID 133440300
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133322811
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 75395163

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (CID 133440214) is N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is Cc1nc2ncnn2c(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)c1C.
What is the InChIKey of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ZOGNNFJLZJSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6O/c1-11-12(2)27-19-25-10-26-30(19)17(11)29-8-7-15(13-3-5-14(21)6-4-13)16(9-29)28-18(31)20(22,23)24/h3-6,10,15-16H,7-9H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 436.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 133440214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).