5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol

C15H13ClF2N4O4 — CID 171553207

IUPAC5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol
SMILESCO.O=Cc1cc2nc(Oc3ncc(Cl)cc3OCC(F)F)ccn2n1
InChIInChI=1S/C14H9ClF2N4O3.CH4O/c15-8-3-10(23-7-11(16)17)14(18-5-8)24-13-1-2-21-12(19-13)4-9(6-22)20-21;1-2/h1-6,11H,7H2;2H,1H3
InChIKeyVEGQCKFXGFODSP-UHFFFAOYSA-N
MW386.74 g/mol
LogP2.63
Rot. Bonds6

About 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol

5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol (PubChem CID 171553207) has the molecular formula C15H13ClF2N4O4 and a molecular weight of 386.74 g/mol. Its IUPAC name is 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol.

Molecular Properties

Compound Name5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol
PubChem CID171553207
Molecular FormulaC15H13ClF2N4O4
Molecular Weight386.74 g/mol
Exact Mass386.06
IUPAC Name5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol
SMILESCO.O=Cc1cc2nc(Oc3ncc(Cl)cc3OCC(F)F)ccn2n1
InChIInChI=1S/C14H9ClF2N4O3.CH4O/c15-8-3-10(23-7-11(16)17)14(18-5-8)24-13-1-2-21-12(19-13)4-9(6-22)20-21;1-2/h1-6,11H,7H2;2H,1H3
InChIKeyVEGQCKFXGFODSP-UHFFFAOYSA-N
XLogP2.63
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol?
The IUPAC name of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol (CID 171553207) is 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol.
What is the SMILES notation for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol?
The canonical SMILES for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol is CO.O=Cc1cc2nc(Oc3ncc(Cl)cc3OCC(F)F)ccn2n1.
What is the InChIKey of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol?
The InChIKey is VEGQCKFXGFODSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4O3.CH4O/c15-8-3-10(23-7-11(16)17)14(18-5-8)24-13-1-2-21-12(19-13)4-9(6-22)20-21;1-2/h1-6,11H,7H2;2H,1H3.
What are the key properties of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol?
5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol has a molecular weight of 386.74 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidine-2-carbaldehyde;methanol is sourced from PubChem (CID 171553207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).