6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C16H17F3N4O — CID 50955484

IUPAC6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(C(F)(F)F)n(CC(C)CN2Cc3ncccc3C2=O)n1
InChIInChI=1S/C16H17F3N4O/c1-10(8-23-14(16(17,18)19)6-11(2)21-23)7-22-9-13-12(15(22)24)4-3-5-20-13/h3-6,10H,7-9H2,1-2H3
InChIKeyJZAGQSWPTNONAL-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.90
Rot. Bonds4

About 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50955484) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50955484
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(C(F)(F)F)n(CC(C)CN2Cc3ncccc3C2=O)n1
InChIInChI=1S/C16H17F3N4O/c1-10(8-23-14(16(17,18)19)6-11(2)21-23)7-22-9-13-12(15(22)24)4-3-5-20-13/h3-6,10H,7-9H2,1-2H3
InChIKeyJZAGQSWPTNONAL-UHFFFAOYSA-N
XLogP2.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50950727
(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 42574565
6-[[2,6-difluoro-4-(2-methylpyrazolo[1,5-a]pyridin-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 166076683
6-[[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527956
6-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527982
3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine
CID 135117152
6-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555067
6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50984326
6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528144
6-[[2,6-difluoro-4-[2-methyl-7-(1,1,1-trifluoro-2-hydroxybutan-2-yl)indazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528436
1-(2H-benzotriazol-5-yl)-3-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 118786909
6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955652

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50955484) is 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc(C(F)(F)F)n(CC(C)CN2Cc3ncccc3C2=O)n1.
What is the InChIKey of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JZAGQSWPTNONAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10(8-23-14(16(17,18)19)6-11(2)21-23)7-22-9-13-12(15(22)24)4-3-5-20-13/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 338.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50955484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).