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

C16H14F5N3O2 — CID 126527152

IUPAC(2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccc(F)cc2F)C1)C(F)(F)F
InChIInChI=1S/C16H14F5N3O2/c1-15(26,16(19,20)21)14(25)23-5-4-12-9(8-23)7-22-24(12)13-3-2-10(17)6-11(13)18/h2-3,6-7,26H,4-5,8H2,1H3/t15-/m1/s1
InChIKeyOFLWWBKSLUZXBU-OAHLLOKOSA-N
MW375.30 g/mol
LogP2.35
Rot. Bonds2

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

(2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 126527152) has the molecular formula C16H14F5N3O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID126527152
Molecular FormulaC16H14F5N3O2
Molecular Weight375.30 g/mol
Exact Mass375.10
IUPAC Name(2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccc(F)cc2F)C1)C(F)(F)F
InChIInChI=1S/C16H14F5N3O2/c1-15(26,16(19,20)21)14(25)23-5-4-12-9(8-23)7-22-24(12)13-3-2-10(17)6-11(13)18/h2-3,6-7,26H,4-5,8H2,1H3/t15-/m1/s1
InChIKeyOFLWWBKSLUZXBU-OAHLLOKOSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 126527152) is (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is C[C@@](O)(C(=O)N1CCc2c(cnn2-c2ccc(F)cc2F)C1)C(F)(F)F.
What is the InChIKey of (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is OFLWWBKSLUZXBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14F5N3O2/c1-15(26,16(19,20)21)14(25)23-5-4-12-9(8-23)7-22-24(12)13-3-2-10(17)6-11(13)18/h2-3,6-7,26H,4-5,8H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
(2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 375.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 126527152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).