3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C17H15F3N4O — CID 166188628

IUPAC3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC(C)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H15F3N4O/c1-9(11-4-3-5-13(6-11)17(18,19)20)22-16(25)12-7-14-10(2)23-24-15(14)21-8-12/h3-9H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyPXSFBKXAJURZED-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.78
Rot. Bonds3

About 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 166188628) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID166188628
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC(C)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H15F3N4O/c1-9(11-4-3-5-13(6-11)17(18,19)20)22-16(25)12-7-14-10(2)23-24-15(14)21-8-12/h3-9H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyPXSFBKXAJURZED-UHFFFAOYSA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764046
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41144986
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18084276

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 166188628) is 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)NC(C)c3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is PXSFBKXAJURZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-9(11-4-3-5-13(6-11)17(18,19)20)22-16(25)12-7-14-10(2)23-24-15(14)21-8-12/h3-9H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166188628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).