(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one

C25H24F2N2O4 — CID 147844433

IUPAC(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)C[C@H](CO)c3ccc(C)o3)c2c1
InChIInChI=1S/C25H24F2N2O4/c1-14-9-21-25(22(31)11-17(12-30)23-8-7-15(2)33-23)16(3)28-29(21)24(10-14)32-13-18-19(26)5-4-6-20(18)27/h4-10,17,30H,11-13H2,1-3H3/t17-/m1/s1
InChIKeyHTPLXCUYNKTFHT-QGZVFWFLSA-N
MW454.47 g/mol
LogP5.06
Rot. Bonds8

About (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one

(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one (PubChem CID 147844433) has the molecular formula C25H24F2N2O4 and a molecular weight of 454.47 g/mol. Its IUPAC name is (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one
PubChem CID147844433
Molecular FormulaC25H24F2N2O4
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC Name(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)C[C@H](CO)c3ccc(C)o3)c2c1
InChIInChI=1S/C25H24F2N2O4/c1-14-9-21-25(22(31)11-17(12-30)23-8-7-15(2)33-23)16(3)28-29(21)24(10-14)32-13-18-19(26)5-4-6-20(18)27/h4-10,17,30H,11-13H2,1-3H3/t17-/m1/s1
InChIKeyHTPLXCUYNKTFHT-QGZVFWFLSA-N
XLogP5.06
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one?
The IUPAC name of (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one (CID 147844433) is (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one.
What is the SMILES notation for (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one?
The canonical SMILES for (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)C[C@H](CO)c3ccc(C)o3)c2c1.
What is the InChIKey of (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one?
The InChIKey is HTPLXCUYNKTFHT-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24F2N2O4/c1-14-9-21-25(22(31)11-17(12-30)23-8-7-15(2)33-23)16(3)28-29(21)24(10-14)32-13-18-19(26)5-4-6-20(18)27/h4-10,17,30H,11-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one?
(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one has a molecular weight of 454.47 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one is sourced from PubChem (CID 147844433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).