1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one

C16H18F2N2O3 — CID 137413503

IUPAC1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnn2cc(OCC3(O)CC(F)(F)C3)ccc12
InChIInChI=1S/C16H18F2N2O3/c1-10(2)14(21)12-5-19-20-6-11(3-4-13(12)20)23-9-15(22)7-16(17,18)8-15/h3-6,10,22H,7-9H2,1-2H3
InChIKeyJDTIFSHNDRNCDU-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.71
Rot. Bonds5

About 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one

1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one (PubChem CID 137413503) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
PubChem CID137413503
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnn2cc(OCC3(O)CC(F)(F)C3)ccc12
InChIInChI=1S/C16H18F2N2O3/c1-10(2)14(21)12-5-19-20-6-11(3-4-13(12)20)23-9-15(22)7-16(17,18)8-15/h3-6,10,22H,7-9H2,1-2H3
InChIKeyJDTIFSHNDRNCDU-UHFFFAOYSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one (CID 137413503) is 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one is CC(C)C(=O)c1cnn2cc(OCC3(O)CC(F)(F)C3)ccc12.
What is the InChIKey of 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
The InChIKey is JDTIFSHNDRNCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c1-10(2)14(21)12-5-19-20-6-11(3-4-13(12)20)23-9-15(22)7-16(17,18)8-15/h3-6,10,22H,7-9H2,1-2H3.
What are the key properties of 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one has a molecular weight of 324.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 137413503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).