2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H20ClF3N8O3 — CID 129097456

IUPAC2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nnc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)n12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClN8O.C2HF3O2/c1-12(26-22(32)17-19(24)29-30-10-6-9-25-21(17)30)15-11-16(23)20-28-27-13(2)31(20)18(15)14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-12H,1-2H3,(H2,24,29)(H,26,32);(H,6,7)
InChIKeyZNYBNJYAGQKHAP-UHFFFAOYSA-N
MW560.92 g/mol
LogP4.11
Rot. Bonds4

About 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 129097456) has the molecular formula C24H20ClF3N8O3 and a molecular weight of 560.92 g/mol. Its IUPAC name is 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID129097456
Molecular FormulaC24H20ClF3N8O3
Molecular Weight560.92 g/mol
Exact Mass560.13
IUPAC Name2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nnc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)n12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19ClN8O.C2HF3O2/c1-12(26-22(32)17-19(24)29-30-10-6-9-25-21(17)30)15-11-16(23)20-28-27-13(2)31(20)18(15)14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-12H,1-2H3,(H2,24,29)(H,26,32);(H,6,7)
InChIKeyZNYBNJYAGQKHAP-UHFFFAOYSA-N
XLogP4.11
TPSA152.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.92
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 129097456) is 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1nnc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)n12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZNYBNJYAGQKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O.C2HF3O2/c1-12(26-22(32)17-19(24)29-30-10-6-9-25-21(17)30)15-11-16(23)20-28-27-13(2)31(20)18(15)14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-12H,1-2H3,(H2,24,29)(H,26,32);(H,6,7).
What are the key properties of 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 560.92 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(8-chloro-3-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129097456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).