2-amino-N-[1-(8-chloro-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

C23H18ClF3N8O3 — CID 129097914

IUPAC2-amino-N-[1-(8-chloro-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
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nncn2c1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H17ClN8O.C2HF3O2/c1-12(26-21(31)16-18(23)28-30-9-5-8-24-20(16)30)14-10-15(22)19-27-25-11-29(19)17(14)13-6-3-2-4-7-13;3-2(4,5)1(6)7/h2-12H,1H3,(H2,23,28)(H,26,31);(H,6,7)
InChIKeyYUZNVGRCTBXFBD-UHFFFAOYSA-N
MW546.90 g/mol
LogP3.80
Rot. Bonds4

About 2-amino-N-[1-(8-chloro-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-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 129097914) has the molecular formula C23H18ClF3N8O3 and a molecular weight of 546.90 g/mol. Its IUPAC name is 2-amino-N-[1-(8-chloro-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-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 CID129097914
Molecular FormulaC23H18ClF3N8O3
Molecular Weight546.90 g/mol
Exact Mass546.11
IUPAC Name2-amino-N-[1-(8-chloro-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
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nncn2c1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H17ClN8O.C2HF3O2/c1-12(26-21(31)16-18(23)28-30-9-5-8-24-20(16)30)14-10-15(22)19-27-25-11-29(19)17(14)13-6-3-2-4-7-13;3-2(4,5)1(6)7/h2-12H,1H3,(H2,23,28)(H,26,31);(H,6,7)
InChIKeyYUZNVGRCTBXFBD-UHFFFAOYSA-N
XLogP3.80
TPSA152.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.90
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[1-(8-chloro-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-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-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 129097914) is 2-amino-N-[1-(8-chloro-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-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-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 CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nncn2c1-c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[1-(8-chloro-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 YUZNVGRCTBXFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN8O.C2HF3O2/c1-12(26-21(31)16-18(23)28-30-9-5-8-24-20(16)30)14-10-15(22)19-27-25-11-29(19)17(14)13-6-3-2-4-7-13;3-2(4,5)1(6)7/h2-12H,1H3,(H2,23,28)(H,26,31);(H,6,7).
What are the key properties of 2-amino-N-[1-(8-chloro-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-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 546.90 g/mol, XLogP of 3.80, 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-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 129097914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).