(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one

C17H17F4N3O2 — CID 126527471

IUPAC(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C17H17F4N3O2/c1-10-8-23(15(25)16(2,26)17(19,20)21)9-11-7-22-24(14(10)11)13-5-3-12(18)4-6-13/h3-7,10,26H,8-9H2,1-2H3/t10?,16-/m1/s1
InChIKeyWZBWLIMRPORCNI-YRQZNCJOSA-N
MW371.33 g/mol
LogP2.77
Rot. Bonds2

About (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one

(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 126527471) has the molecular formula C17H17F4N3O2 and a molecular weight of 371.33 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID126527471
Molecular FormulaC17H17F4N3O2
Molecular Weight371.33 g/mol
Exact Mass371.13
IUPAC Name(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C17H17F4N3O2/c1-10-8-23(15(25)16(2,26)17(19,20)21)9-11-7-22-24(14(10)11)13-5-3-12(18)4-6-13/h3-7,10,26H,8-9H2,1-2H3/t10?,16-/m1/s1
InChIKeyWZBWLIMRPORCNI-YRQZNCJOSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one (CID 126527471) is (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one is CC1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ccc(F)cc3)c21.
What is the InChIKey of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is WZBWLIMRPORCNI-YRQZNCJOSA-N. The full InChI is InChI=1S/C17H17F4N3O2/c1-10-8-23(15(25)16(2,26)17(19,20)21)9-11-7-22-24(14(10)11)13-5-3-12(18)4-6-13/h3-7,10,26H,8-9H2,1-2H3/t10?,16-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 371.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 126527471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).