N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide

C21H18F3N5O3S — CID 168945197

IUPACN-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)C(F)F)c(OCc3ccc(F)cc3)c2)c2c(N)nccc21
InChIInChI=1S/C21H18F3N5O3S/c1-29-16-8-9-26-20(25)18(16)19(27-29)13-4-7-15(28-33(30,31)21(23)24)17(10-13)32-11-12-2-5-14(22)6-3-12/h2-10,21,28H,11H2,1H3,(H2,25,26)
InChIKeyWLUOXHFTSFYDLX-UHFFFAOYSA-N
MW477.47 g/mol
LogP3.90
Rot. Bonds7

About N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide

N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide (PubChem CID 168945197) has the molecular formula C21H18F3N5O3S and a molecular weight of 477.47 g/mol. Its IUPAC name is N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
PubChem CID168945197
Molecular FormulaC21H18F3N5O3S
Molecular Weight477.47 g/mol
Exact Mass477.11
IUPAC NameN-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)C(F)F)c(OCc3ccc(F)cc3)c2)c2c(N)nccc21
InChIInChI=1S/C21H18F3N5O3S/c1-29-16-8-9-26-20(25)18(16)19(27-29)13-4-7-15(28-33(30,31)21(23)24)17(10-13)32-11-12-2-5-14(22)6-3-12/h2-10,21,28H,11H2,1H3,(H2,25,26)
InChIKeyWLUOXHFTSFYDLX-UHFFFAOYSA-N
XLogP3.90
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide with MolForge

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Related Compounds

5-Isopropoxy-3-(2-(4-(methylsulfonyl)piperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400868
7-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-[4-fluoro-2-[1-(2-methylpyrazol-3-yl)ethoxy]phenyl]-5-methylquinazolin-4-amine
CID 117793141
7-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-[4-fluoro-2-(1-pyrazol-1-ylpropan-2-yloxy)phenyl]-5-methylquinazolin-4-amine
CID 117793152
US10266548, Example 2-5-1
CID 130417013
US9718825, Example 678
CID 136213569
US9718825, Example 680
CID 136213571
US9718825, Example 682
CID 136213573
US9718825, Example 683
CID 136213574
US9718825, Example 697
CID 136213588
US11247990, Example 403
CID 138682732
US11247990, Example 353
CID 138682789
US11247990, Example 374
CID 138715043

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide (CID 168945197) is N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide is Cn1nc(-c2ccc(NS(=O)(=O)C(F)F)c(OCc3ccc(F)cc3)c2)c2c(N)nccc21.
What is the InChIKey of N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?
The InChIKey is WLUOXHFTSFYDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3S/c1-29-16-8-9-26-20(25)18(16)19(27-29)13-4-7-15(28-33(30,31)21(23)24)17(10-13)32-11-12-2-5-14(22)6-3-12/h2-10,21,28H,11H2,1H3,(H2,25,26).
What are the key properties of N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide?
N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide has a molecular weight of 477.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 168945197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).