7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C27H25F2N7O — CID 23570286

IUPAC7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(c1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C27H25F2N7O/c1-17(34-9-11-35(12-10-34)23-8-7-20(28)15-21(23)29)18-4-2-5-19(14-18)22-16-25-32-26(24-6-3-13-37-24)33-36(25)27(30)31-22/h2-8,13-17H,9-12H2,1H3,(H2,30,31)
InChIKeyDVFTZFGTYODWGA-UHFFFAOYSA-N
MW501.54 g/mol
LogP4.79
Rot. Bonds5

About 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 23570286) has the molecular formula C27H25F2N7O and a molecular weight of 501.54 g/mol. Its IUPAC name is 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID23570286
Molecular FormulaC27H25F2N7O
Molecular Weight501.54 g/mol
Exact Mass501.21
IUPAC Name7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(c1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C27H25F2N7O/c1-17(34-9-11-35(12-10-34)23-8-7-20(28)15-21(23)29)18-4-2-5-19(14-18)22-16-25-32-26(24-6-3-13-37-24)33-36(25)27(30)31-22/h2-8,13-17H,9-12H2,1H3,(H2,30,31)
InChIKeyDVFTZFGTYODWGA-UHFFFAOYSA-N
XLogP4.79
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

2-(furan-2-yl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002496
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 23570263
1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-one;2-(furan-2-yl)-7-[3-(4-methylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 160513768
10-[(E)-4-[4-(2,4-difluorophenyl)piperazin-1-yl]but-2-enyl]-4-(furan-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 25019946
4-[4-[2-[[4-amino-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-methylamino]ethyl]piperazin-1-yl]-3-fluorobenzoic acid
CID 146467968
2-N-[2-[4-[2,4-difluoro-5-[(S)-methylsulfinyl]phenyl]piperazin-1-yl]ethyl]-7-(furan-2-yl)-2-N-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 146468012
2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-1-phenylethanol
CID 22002371
7-[3-[4-[(3,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 23570297
2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzaldehyde
CID 86603876
7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 99926894
2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002481
2-(furan-2-yl)-7-[2-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10174770

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 23570286) is 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CC(c1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is DVFTZFGTYODWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O/c1-17(34-9-11-35(12-10-34)23-8-7-20(28)15-21(23)29)18-4-2-5-19(14-18)22-16-25-32-26(24-6-3-13-37-24)33-36(25)27(30)31-22/h2-8,13-17H,9-12H2,1H3,(H2,30,31).
What are the key properties of 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 501.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 23570286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).