[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate

C24H24ClF3N8O3 — CID 129097651

IUPAC[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCCC(C)(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C24H24ClF3N8O3/c1-13(32-20(37)17-18(29)33-36-8-4-6-31-19(17)36)14-9-15(25)16-10-30-12-35(16)21(14)34-7-3-5-23(2,11-34)39-22(38)24(26,27)28/h4,6,8-10,12-13H,3,5,7,11H2,1-2H3,(H2,29,33)(H,32,37)
InChIKeyJZGTYLUTFJTZOP-UHFFFAOYSA-N
MW564.96 g/mol
LogP3.57
Rot. Bonds5

About [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate

[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate (PubChem CID 129097651) has the molecular formula C24H24ClF3N8O3 and a molecular weight of 564.96 g/mol. Its IUPAC name is [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate
PubChem CID129097651
Molecular FormulaC24H24ClF3N8O3
Molecular Weight564.96 g/mol
Exact Mass564.16
IUPAC Name[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCCC(C)(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C24H24ClF3N8O3/c1-13(32-20(37)17-18(29)33-36-8-4-6-31-19(17)36)14-9-15(25)16-10-30-12-35(16)21(14)34-7-3-5-23(2,11-34)39-22(38)24(26,27)28/h4,6,8-10,12-13H,3,5,7,11H2,1-2H3,(H2,29,33)(H,32,37)
InChIKeyJZGTYLUTFJTZOP-UHFFFAOYSA-N
XLogP3.57
TPSA132.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.96
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate (CID 129097651) is [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCCC(C)(OC(=O)C(F)(F)F)C1.
What is the InChIKey of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate?
The InChIKey is JZGTYLUTFJTZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N8O3/c1-13(32-20(37)17-18(29)33-36-8-4-6-31-19(17)36)14-9-15(25)16-10-30-12-35(16)21(14)34-7-3-5-23(2,11-34)39-22(38)24(26,27)28/h4,6,8-10,12-13H,3,5,7,11H2,1-2H3,(H2,29,33)(H,32,37).
What are the key properties of [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate?
[1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate has a molecular weight of 564.96 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-3-methylpiperidin-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 129097651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).