N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C21H23F3N4O3 — CID 166298516

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccc3ccnn23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4O.C2HF3O2/c1-13(2)14-6-8-15(9-7-14)17(20)12-21-19(24)18-5-3-4-16-10-11-22-23(16)18;3-2(4,5)1(6)7/h3-11,13,17H,12,20H2,1-2H3,(H,21,24);(H,6,7)
InChIKeyRFOYALOFOHYHKG-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.52
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166298516) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166298516
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccc3ccnn23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4O.C2HF3O2/c1-13(2)14-6-8-15(9-7-14)17(20)12-21-19(24)18-5-3-4-16-10-11-22-23(16)18;3-2(4,5)1(6)7/h3-11,13,17H,12,20H2,1-2H3,(H,21,24);(H,6,7)
InChIKeyRFOYALOFOHYHKG-UHFFFAOYSA-N
XLogP3.52
TPSA109.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 166298516) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(C(N)CNC(=O)c2cccc3ccnn23)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RFOYALOFOHYHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C2HF3O2/c1-13(2)14-6-8-15(9-7-14)17(20)12-21-19(24)18-5-3-4-16-10-11-22-23(16)18;3-2(4,5)1(6)7/h3-11,13,17H,12,20H2,1-2H3,(H,21,24);(H,6,7).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 436.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166298516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).