N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C19H22F3N7O2 — CID 78870345

IUPACN-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(N2CCN(CC(=O)N(Cc3ccco3)CC(F)(F)F)CC2)n2ncnc2n1
InChIInChI=1S/C19H22F3N7O2/c1-14-9-16(29-18(25-14)23-13-24-29)27-6-4-26(5-7-27)11-17(30)28(12-19(20,21)22)10-15-3-2-8-31-15/h2-3,8-9,13H,4-7,10-12H2,1H3
InChIKeyBNQMHTAXLZMZRZ-UHFFFAOYSA-N
MW437.43 g/mol
LogP1.74
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78870345) has the molecular formula C19H22F3N7O2 and a molecular weight of 437.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78870345
Molecular FormulaC19H22F3N7O2
Molecular Weight437.43 g/mol
Exact Mass437.18
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(N2CCN(CC(=O)N(Cc3ccco3)CC(F)(F)F)CC2)n2ncnc2n1
InChIInChI=1S/C19H22F3N7O2/c1-14-9-16(29-18(25-14)23-13-24-29)27-6-4-26(5-7-27)11-17(30)28(12-19(20,21)22)10-15-3-2-8-31-15/h2-3,8-9,13H,4-7,10-12H2,1H3
InChIKeyBNQMHTAXLZMZRZ-UHFFFAOYSA-N
XLogP1.74
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 78896987
1-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 35318239
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 36958018
N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 36957783
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 133312876
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 131925736
N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 87044978
1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 78870337
4-[[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 77080576
2-[4-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 46094632
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 38012980

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 78870345) is N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(N2CCN(CC(=O)N(Cc3ccco3)CC(F)(F)F)CC2)n2ncnc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BNQMHTAXLZMZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O2/c1-14-9-16(29-18(25-14)23-13-24-29)27-6-4-26(5-7-27)11-17(30)28(12-19(20,21)22)10-15-3-2-8-31-15/h2-3,8-9,13H,4-7,10-12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 437.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78870345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).