N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

C25H25F2N5O4S — CID 176892513

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(OCCN4CCOCC4)ccc23)c1
InChIInChI=1S/C25H25F2N5O4S/c1-37(33,34)30-20-11-17(10-18(12-20)25-23(27)13-19(26)14-28-25)22-15-29-32-16-21(2-3-24(22)32)36-9-6-31-4-7-35-8-5-31/h2-3,10-16,30H,4-9H2,1H3
InChIKeyPOQORWDIKUDWGY-UHFFFAOYSA-N
MW529.57 g/mol
LogP3.42
Rot. Bonds8

About N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 176892513) has the molecular formula C25H25F2N5O4S and a molecular weight of 529.57 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID176892513
Molecular FormulaC25H25F2N5O4S
Molecular Weight529.57 g/mol
Exact Mass529.16
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(OCCN4CCOCC4)ccc23)c1
InChIInChI=1S/C25H25F2N5O4S/c1-37(33,34)30-20-11-17(10-18(12-20)25-23(27)13-19(26)14-28-25)22-15-29-32-16-21(2-3-24(22)32)36-9-6-31-4-7-35-8-5-31/h2-3,10-16,30H,4-9H2,1H3
InChIKeyPOQORWDIKUDWGY-UHFFFAOYSA-N
XLogP3.42
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(3,5-difluoro-2-pyridinyl)-5-[5-(morpholin-4-ylmethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 176892505
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 155403297
4-[2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)oxyethyl]morpholine
CID 155727791
3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine
CID 167607492
4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
CID 173296855
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide
CID 59426014
5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
2-(2,4-difluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 66927857
N-[3-[(E)-[6-(2-morpholin-4-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]methyl]phenyl]methanesulfonamide
CID 59770363
4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 52944688
3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
CID 167580959

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 176892513) is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(OCCN4CCOCC4)ccc23)c1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is POQORWDIKUDWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4S/c1-37(33,34)30-20-11-17(10-18(12-20)25-23(27)13-19(26)14-28-25)22-15-29-32-16-21(2-3-24(22)32)36-9-6-31-4-7-35-8-5-31/h2-3,10-16,30H,4-9H2,1H3.
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 529.57 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 176892513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).