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

C25H27F2N5O2 — CID 121386399

IUPAC4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C25H27F2N5O2/c1-17-12-23-25(19-14-28-31(15-19)7-6-30-8-10-33-11-9-30)18(2)29-32(23)24(13-17)34-16-20-21(26)4-3-5-22(20)27/h3-5,12-15H,6-11,16H2,1-2H3
InChIKeyPGEOVRXSRBGVLZ-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.00
Rot. Bonds7

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

4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 121386399) has the molecular formula C25H27F2N5O2 and a molecular weight of 467.52 g/mol. Its IUPAC name is 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID121386399
Molecular FormulaC25H27F2N5O2
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1
InChIInChI=1S/C25H27F2N5O2/c1-17-12-23-25(19-14-28-31(15-19)7-6-30-8-10-33-11-9-30)18(2)29-32(23)24(13-17)34-16-20-21(26)4-3-5-22(20)27/h3-5,12-15H,6-11,16H2,1-2H3
InChIKeyPGEOVRXSRBGVLZ-UHFFFAOYSA-N
XLogP4.00
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 121386399) is 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(-c3cnn(CCN4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is PGEOVRXSRBGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2/c1-17-12-23-25(19-14-28-31(15-19)7-6-30-8-10-33-11-9-30)18(2)29-32(23)24(13-17)34-16-20-21(26)4-3-5-22(20)27/h3-5,12-15H,6-11,16H2,1-2H3.
What are the key properties of 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 467.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 121386399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).