1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide

C18H17F3N4O2 — CID 166217774

IUPAC1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C)c2[nH]c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)cc(=O)c12
InChIInChI=1S/C18H17F3N4O2/c1-9(11-5-4-6-12(7-11)18(19,20)21)22-17(27)13-8-14(26)15-10(2)24-25(3)16(15)23-13/h4-9H,1-3H3,(H,22,27)(H,23,26)
InChIKeyNXDQHPIDOCMOMD-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.08
Rot. Bonds3

About 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide

1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 166217774) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID166217774
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C)c2[nH]c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)cc(=O)c12
InChIInChI=1S/C18H17F3N4O2/c1-9(11-5-4-6-12(7-11)18(19,20)21)22-17(27)13-8-14(26)15-10(2)24-25(3)16(15)23-13/h4-9H,1-3H3,(H,22,27)(H,23,26)
InChIKeyNXDQHPIDOCMOMD-UHFFFAOYSA-N
XLogP3.08
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 112763965
5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 95871145
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
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
7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18084276
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
CID 18270656
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 120918995

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide (CID 166217774) is 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide is Cc1nn(C)c2[nH]c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)cc(=O)c12.
What is the InChIKey of 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is NXDQHPIDOCMOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-9(11-5-4-6-12(7-11)18(19,20)21)22-17(27)13-8-14(26)15-10(2)24-25(3)16(15)23-13/h4-9H,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide?
1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 166217774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).