2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol

C21H20F2N4O2 — CID 121379386

IUPAC2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cnn(CCO)c3)c2c1
InChIInChI=1S/C21H20F2N4O2/c1-13-8-19-21(15-10-24-26(11-15)6-7-28)14(2)25-27(19)20(9-13)29-12-16-17(22)4-3-5-18(16)23/h3-5,8-11,28H,6-7,12H2,1-2H3
InChIKeyNEVPIWYQXPFMMN-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.66
Rot. Bonds6

About 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol

2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 121379386) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol
PubChem CID121379386
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cnn(CCO)c3)c2c1
InChIInChI=1S/C21H20F2N4O2/c1-13-8-19-21(15-10-24-26(11-15)6-7-28)14(2)25-27(19)20(9-13)29-12-16-17(22)4-3-5-18(16)23/h3-5,8-11,28H,6-7,12H2,1-2H3
InChIKeyNEVPIWYQXPFMMN-UHFFFAOYSA-N
XLogP3.66
TPSA64.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol (CID 121379386) is 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cnn(CCO)c3)c2c1.
What is the InChIKey of 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is NEVPIWYQXPFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-13-8-19-21(15-10-24-26(11-15)6-7-28)14(2)25-27(19)20(9-13)29-12-16-17(22)4-3-5-18(16)23/h3-5,8-11,28H,6-7,12H2,1-2H3.
What are the key properties of 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 398.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 121379386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).