N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide

C22H18F3N3O3S — CID 168946023

IUPACN-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide
SMILESCc1cnc(N)c2c(-c3ccc(NS(=O)C(F)F)c(OCc4ccc(F)cc4)c3)coc12
InChIInChI=1S/C22H18F3N3O3S/c1-12-9-27-21(26)19-16(11-31-20(12)19)14-4-7-17(28-32(29)22(24)25)18(8-14)30-10-13-2-5-15(23)6-3-13/h2-9,11,22,28H,10H2,1H3,(H2,26,27)
InChIKeyOWFFCRFIZPZNKU-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.40
Rot. Bonds7

About N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide

N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide (PubChem CID 168946023) has the molecular formula C22H18F3N3O3S and a molecular weight of 461.47 g/mol. Its IUPAC name is N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide.

Molecular Properties

Compound NameN-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide
PubChem CID168946023
Molecular FormulaC22H18F3N3O3S
Molecular Weight461.47 g/mol
Exact Mass461.10
IUPAC NameN-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide
SMILESCc1cnc(N)c2c(-c3ccc(NS(=O)C(F)F)c(OCc4ccc(F)cc4)c3)coc12
InChIInChI=1S/C22H18F3N3O3S/c1-12-9-27-21(26)19-16(11-31-20(12)19)14-4-7-17(28-32(29)22(24)25)18(8-14)30-10-13-2-5-15(23)6-3-13/h2-9,11,22,28H,10H2,1H3,(H2,26,27)
InChIKeyOWFFCRFIZPZNKU-UHFFFAOYSA-N
XLogP5.40
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(4-fluorophenyl)methoxy]-4-nitrophenyl]-7-iodofuro[3,2-c]pyridin-4-amine
CID 168945393
N-[4-(3-amino-1H-indazol-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfinamide
CID 168945299
3-[4-(difluoromethylsulfanylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1,7-dimethylpyrazolo[4,5-c]pyridin-4-amine
CID 168945147
1-tert-butyl-3-[4-(difluoromethylsulfinylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-N-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrazole-4-carboxamide
CID 168945644
N-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanesulfinamide
CID 168945195
N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 168946493
N-[4-amino-3-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazolo[4,5-c]pyridin-7-yl]acetamide
CID 168945293
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
N-[4-[4-amino-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175683007
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole
CID 177357080
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide?
The IUPAC name of N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide (CID 168946023) is N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide.
What is the SMILES notation for N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide?
The canonical SMILES for N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide is Cc1cnc(N)c2c(-c3ccc(NS(=O)C(F)F)c(OCc4ccc(F)cc4)c3)coc12.
What is the InChIKey of N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide?
The InChIKey is OWFFCRFIZPZNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3S/c1-12-9-27-21(26)19-16(11-31-20(12)19)14-4-7-17(28-32(29)22(24)25)18(8-14)30-10-13-2-5-15(23)6-3-13/h2-9,11,22,28H,10H2,1H3,(H2,26,27).
What are the key properties of N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide?
N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide has a molecular weight of 461.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-7-methylfuro[3,2-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfinamide is sourced from PubChem (CID 168946023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).