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

C15H14F4N4O2 — CID 126571575

IUPAC3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
SMILESC[C@@H]1CN(C(=O)C(O)C(F)(F)F)Cc2cnn(-c3ccc(F)cn3)c21
InChIInChI=1S/C15H14F4N4O2/c1-8-6-22(14(25)13(24)15(17,18)19)7-9-4-21-23(12(8)9)11-3-2-10(16)5-20-11/h2-5,8,13,24H,6-7H2,1H3/t8-,13?/m1/s1
InChIKeySRLLKWPVVUXGDE-UOGPZTOASA-N
MW358.30 g/mol
LogP1.78
Rot. Bonds2

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

3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one (PubChem CID 126571575) has the molecular formula C15H14F4N4O2 and a molecular weight of 358.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
PubChem CID126571575
Molecular FormulaC15H14F4N4O2
Molecular Weight358.30 g/mol
Exact Mass358.11
IUPAC Name3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
SMILESC[C@@H]1CN(C(=O)C(O)C(F)(F)F)Cc2cnn(-c3ccc(F)cn3)c21
InChIInChI=1S/C15H14F4N4O2/c1-8-6-22(14(25)13(24)15(17,18)19)7-9-4-21-23(12(8)9)11-3-2-10(16)5-20-11/h2-5,8,13,24H,6-7H2,1H3/t8-,13?/m1/s1
InChIKeySRLLKWPVVUXGDE-UOGPZTOASA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one (CID 126571575) is 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one is C[C@@H]1CN(C(=O)C(O)C(F)(F)F)Cc2cnn(-c3ccc(F)cn3)c21.
What is the InChIKey of 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one?
The InChIKey is SRLLKWPVVUXGDE-UOGPZTOASA-N. The full InChI is InChI=1S/C15H14F4N4O2/c1-8-6-22(14(25)13(24)15(17,18)19)7-9-4-21-23(12(8)9)11-3-2-10(16)5-20-11/h2-5,8,13,24H,6-7H2,1H3/t8-,13?/m1/s1.
What are the key properties of 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one?
3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one has a molecular weight of 358.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[(7R)-1-(5-fluoro-2-pyridinyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 126571575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).