7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C24H28F2N8O2 — CID 16679350

IUPAC7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOCCN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C24H28F2N8O2/c1-35-14-12-33(11-8-31-6-9-32(10-7-31)19-5-4-17(25)15-18(19)26)21-16-22-28-23(20-3-2-13-36-20)30-34(22)24(27)29-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,27,29)
InChIKeyIBTJXZMYRPSUKB-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.52
Rot. Bonds9

About 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 16679350) has the molecular formula C24H28F2N8O2 and a molecular weight of 498.54 g/mol. Its IUPAC name is 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID16679350
Molecular FormulaC24H28F2N8O2
Molecular Weight498.54 g/mol
Exact Mass498.23
IUPAC Name7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOCCN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C24H28F2N8O2/c1-35-14-12-33(11-8-31-6-9-32(10-7-31)19-5-4-17(25)15-18(19)26)21-16-22-28-23(20-3-2-13-36-20)30-34(22)24(27)29-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,27,29)
InChIKeyIBTJXZMYRPSUKB-UHFFFAOYSA-N
XLogP2.52
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 16679350) is 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is COCCN(CCN1CCN(c2ccc(F)cc2F)CC1)c1cc2nc(-c3ccco3)nn2c(N)n1.
What is the InChIKey of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is IBTJXZMYRPSUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O2/c1-35-14-12-33(11-8-31-6-9-32(10-7-31)19-5-4-17(25)15-18(19)26)21-16-22-28-23(20-3-2-13-36-20)30-34(22)24(27)29-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,27,29).
What are the key properties of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 498.54 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 16679350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).