N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N4O3 — CID 166253047

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCC1(CNC(=O)c2cccn3nccc23)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4O.C2HF3O2/c15-9-14(5-2-6-14)10-16-13(19)11-3-1-8-18-12(11)4-7-17-18;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-10,15H2,(H,16,19);(H,6,7)
InChIKeyGFXXECKCSASRRQ-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.83
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166253047) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166253047
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCC1(CNC(=O)c2cccn3nccc23)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4O.C2HF3O2/c15-9-14(5-2-6-14)10-16-13(19)11-3-1-8-18-12(11)4-7-17-18;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-10,15H2,(H,16,19);(H,6,7)
InChIKeyGFXXECKCSASRRQ-UHFFFAOYSA-N
XLogP1.83
TPSA109.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166253048
1-[(pyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 103791309
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-cyclobutyloxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 166251167
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 173128485
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113313670

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 166253047) is N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is NCC1(CNC(=O)c2cccn3nccc23)CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GFXXECKCSASRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.C2HF3O2/c15-9-14(5-2-6-14)10-16-13(19)11-3-1-8-18-12(11)4-7-17-18;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-10,15H2,(H,16,19);(H,6,7).
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 372.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166253047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).