1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide

C12H10F3N7O — CID 171679270

IUPAC1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1nn(C)c2ncccc12
InChIInChI=1S/C12H10F3N7O/c1-21-8-6(4-3-5-16-8)7(19-21)9(23)17-11-18-10(12(13,14)15)20-22(11)2/h3-5H,1-2H3,(H,17,18,20,23)
InChIKeyVWAPCVDDSZUQSP-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.37
Rot. Bonds2

About 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide

1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 171679270) has the molecular formula C12H10F3N7O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID171679270
Molecular FormulaC12H10F3N7O
Molecular Weight325.25 g/mol
Exact Mass325.09
IUPAC Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1NC(=O)c1nn(C)c2ncccc12
InChIInChI=1S/C12H10F3N7O/c1-21-8-6(4-3-5-16-8)7(19-21)9(23)17-11-18-10(12(13,14)15)20-22(11)2/h3-5H,1-2H3,(H,17,18,20,23)
InChIKeyVWAPCVDDSZUQSP-UHFFFAOYSA-N
XLogP1.37
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 171679224
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 171679265
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
CID 171679215
N-(2-aminoethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 123524646
2,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 171679218
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171679225
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266
4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 171679272
2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 91455987
1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 118500444
4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 171679236
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 171679270) is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide is Cn1nc(C(F)(F)F)nc1NC(=O)c1nn(C)c2ncccc12.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is VWAPCVDDSZUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7O/c1-21-8-6(4-3-5-16-8)7(19-21)9(23)17-11-18-10(12(13,14)15)20-22(11)2/h3-5H,1-2H3,(H,17,18,20,23).
What are the key properties of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide?
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 171679270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).