6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C20H20ClF3N8O — CID 69454550

IUPAC6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1nc(C(F)(F)F)c(CN2CCC(c3cn4nc(-c5ccco5)nc4c(N)n3)CC2)c1Cl
InChIInChI=1S/C20H20ClF3N8O/c1-30-16(21)12(15(28-30)20(22,23)24)9-31-6-4-11(5-7-31)13-10-32-19(17(25)26-13)27-18(29-32)14-3-2-8-33-14/h2-3,8,10-11H,4-7,9H2,1H3,(H2,25,26)
InChIKeyAIOJRYHVBUPXPH-UHFFFAOYSA-N
MW480.88 g/mol
LogP3.75
Rot. Bonds4

About 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 69454550) has the molecular formula C20H20ClF3N8O and a molecular weight of 480.88 g/mol. Its IUPAC name is 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID69454550
Molecular FormulaC20H20ClF3N8O
Molecular Weight480.88 g/mol
Exact Mass480.14
IUPAC Name6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1nc(C(F)(F)F)c(CN2CCC(c3cn4nc(-c5ccco5)nc4c(N)n3)CC2)c1Cl
InChIInChI=1S/C20H20ClF3N8O/c1-30-16(21)12(15(28-30)20(22,23)24)9-31-6-4-11(5-7-31)13-10-32-19(17(25)26-13)27-18(29-32)14-3-2-8-33-14/h2-3,8,10-11H,4-7,9H2,1H3,(H2,25,26)
InChIKeyAIOJRYHVBUPXPH-UHFFFAOYSA-N
XLogP3.75
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.88
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 69454550) is 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cn1nc(C(F)(F)F)c(CN2CCC(c3cn4nc(-c5ccco5)nc4c(N)n3)CC2)c1Cl.
What is the InChIKey of 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is AIOJRYHVBUPXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N8O/c1-30-16(21)12(15(28-30)20(22,23)24)9-31-6-4-11(5-7-31)13-10-32-19(17(25)26-13)27-18(29-32)14-3-2-8-33-14/h2-3,8,10-11H,4-7,9H2,1H3,(H2,25,26).
What are the key properties of 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 480.88 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 69454550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).