N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid

C16H17F3N6O3 — CID 166260284

IUPACN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1c(CN)c(NC(=O)c2cccc3nccn23)nn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H16N6O.C2HF3O2/c1-9-10(8-15)13(18-19(9)2)17-14(21)11-4-3-5-12-16-6-7-20(11)12;3-2(4,5)1(6)7/h3-7H,8,15H2,1-2H3,(H,17,18,21);(H,6,7)
InChIKeyUMUJRGXTABLXNJ-UHFFFAOYSA-N
MW398.35 g/mol
LogP1.72
Rot. Bonds3

About N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid

N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166260284) has the molecular formula C16H17F3N6O3 and a molecular weight of 398.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166260284
Molecular FormulaC16H17F3N6O3
Molecular Weight398.35 g/mol
Exact Mass398.13
IUPAC NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1c(CN)c(NC(=O)c2cccc3nccn23)nn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H16N6O.C2HF3O2/c1-9-10(8-15)13(18-19(9)2)17-14(21)11-4-3-5-12-16-6-7-20(11)12;3-2(4,5)1(6)7/h3-7H,8,15H2,1-2H3,(H,17,18,21);(H,6,7)
InChIKeyUMUJRGXTABLXNJ-UHFFFAOYSA-N
XLogP1.72
TPSA127.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166363599
N-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 110858233
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide
CID 166261533
N-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 110863637
N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)imidazo[1,2-a]pyridine-5-carboxamide
CID 167775199
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-2-methyl-6-(trifluoromethoxy)quinoline-3-carboxamide
CID 166243235
imidazo[1,2-a]pyridin-5-yl-(4-methylphenyl)methanone
CID 175985100
N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 110851649
3-(imidazo[1,2-a]pyridin-5-ylamino)-2,2-dimethylpropanamide
CID 106277717
2-methyl-N-(5-methylimidazo[1,2-a]pyridin-6-yl)benzamide
CID 110493789
3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol
CID 102627014
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 166327748

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid (CID 166260284) is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid is Cc1c(CN)c(NC(=O)c2cccc3nccn23)nn1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UMUJRGXTABLXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O.C2HF3O2/c1-9-10(8-15)13(18-19(9)2)17-14(21)11-4-3-5-12-16-6-7-20(11)12;3-2(4,5)1(6)7/h3-7H,8,15H2,1-2H3,(H,17,18,21);(H,6,7).
What are the key properties of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 398.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]imidazo[1,2-a]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166260284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).