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

C17H20FN3O2 — CID 126527246

IUPAC1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)C(C)(C)O)Cc2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C17H20FN3O2/c1-11-9-20(16(22)17(2,3)23)10-12-8-19-21(15(11)12)14-6-4-13(18)5-7-14/h4-8,11,23H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyWXTWITZLUVGAJH-LLVKDONJSA-N
MW317.36 g/mol
LogP2.23
Rot. Bonds2

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

1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 126527246) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(7R)-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 Name1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID126527246
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)C(C)(C)O)Cc2cnn(-c3ccc(F)cc3)c21
InChIInChI=1S/C17H20FN3O2/c1-11-9-20(16(22)17(2,3)23)10-12-8-19-21(15(11)12)14-6-4-13(18)5-7-14/h4-8,11,23H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyWXTWITZLUVGAJH-LLVKDONJSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-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 1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one (CID 126527246) is 1-[(7R)-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 1-[(7R)-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 1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one is C[C@@H]1CN(C(=O)C(C)(C)O)Cc2cnn(-c3ccc(F)cc3)c21.
What is the InChIKey of 1-[(7R)-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 WXTWITZLUVGAJH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-9-20(16(22)17(2,3)23)10-12-8-19-21(15(11)12)14-6-4-13(18)5-7-14/h4-8,11,23H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one?
1-[(7R)-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 317.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-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 126527246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).