(4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C17H18F3N3O — CID 136826080

IUPAC(4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O/c1-16(2,3)23-15-13(9-21-23)12(8-14(24)22-15)10-4-6-11(7-5-10)17(18,19)20/h4-7,9,12H,8H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeySUADHKATHDNEPQ-GFCCVEGCSA-N
MW337.35 g/mol
LogP4.13
Rot. Bonds1

About (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136826080) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136826080
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name(4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O/c1-16(2,3)23-15-13(9-21-23)12(8-14(24)22-15)10-4-6-11(7-5-10)17(18,19)20/h4-7,9,12H,8H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeySUADHKATHDNEPQ-GFCCVEGCSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632415
(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826055
1-tert-butyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632728
(4S)-1-tert-butyl-4-(5-chloro-2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826066
1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632575
(4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899610
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135894036
(4S)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 1045745
(4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826108
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
(7R)-2-amino-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591025
(4R)-1-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759700

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136826080) is (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SUADHKATHDNEPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-16(2,3)23-15-13(9-21-23)12(8-14(24)22-15)10-4-6-11(7-5-10)17(18,19)20/h4-7,9,12H,8H2,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 337.35 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136826080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).