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

C16H15F5N4O2 — CID 126527224

IUPAC(2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ncc(F)cc3F)c21
InChIInChI=1S/C16H15F5N4O2/c1-8-6-24(14(26)15(2,27)16(19,20)21)7-9-4-23-25(12(8)9)13-11(18)3-10(17)5-22-13/h3-5,8,27H,6-7H2,1-2H3/t8-,15-/m1/s1
InChIKeyKHHGSBWETSSXEC-ANRSDYALSA-N
MW390.31 g/mol
LogP2.30
Rot. Bonds2

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

(2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 126527224) has the molecular formula C16H15F5N4O2 and a molecular weight of 390.31 g/mol. Its IUPAC name is (2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-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-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID126527224
Molecular FormulaC16H15F5N4O2
Molecular Weight390.31 g/mol
Exact Mass390.11
IUPAC Name(2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ncc(F)cc3F)c21
InChIInChI=1S/C16H15F5N4O2/c1-8-6-24(14(26)15(2,27)16(19,20)21)7-9-4-23-25(12(8)9)13-11(18)3-10(17)5-22-13/h3-5,8,27H,6-7H2,1-2H3/t8-,15-/m1/s1
InChIKeyKHHGSBWETSSXEC-ANRSDYALSA-N
XLogP2.30
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-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-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-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-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 126527224) is (2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-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-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-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-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(-c3ncc(F)cc3F)c21.
What is the InChIKey of (2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is KHHGSBWETSSXEC-ANRSDYALSA-N. The full InChI is InChI=1S/C16H15F5N4O2/c1-8-6-24(14(26)15(2,27)16(19,20)21)7-9-4-23-25(12(8)9)13-11(18)3-10(17)5-22-13/h3-5,8,27H,6-7H2,1-2H3/t8-,15-/m1/s1.
What are the key properties of (2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
(2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-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 390.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(7R)-1-(3,5-difluoro-2-pyridinyl)-7-methyl-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 126527224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).