N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide

C27H25FN6O3S — CID 175682914

IUPACN-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nn(C)c3c(-c4cccnc4)cnc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C27H25FN6O3S/c1-3-38(35,36)33-22-11-8-18(13-23(22)37-16-17-6-9-20(28)10-7-17)25-24-26(34(2)32-25)21(15-31-27(24)29)19-5-4-12-30-14-19/h4-15,33H,3,16H2,1-2H3,(H2,29,31)
InChIKeyZDZRGGKSSOWSRE-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.76
Rot. Bonds8

About N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide

N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide (PubChem CID 175682914) has the molecular formula C27H25FN6O3S and a molecular weight of 532.60 g/mol. Its IUPAC name is N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide
PubChem CID175682914
Molecular FormulaC27H25FN6O3S
Molecular Weight532.60 g/mol
Exact Mass532.17
IUPAC NameN-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nn(C)c3c(-c4cccnc4)cnc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C27H25FN6O3S/c1-3-38(35,36)33-22-11-8-18(13-23(22)37-16-17-6-9-20(28)10-7-17)25-24-26(34(2)32-25)21(15-31-27(24)29)19-5-4-12-30-14-19/h4-15,33H,3,16H2,1-2H3,(H2,29,31)
InChIKeyZDZRGGKSSOWSRE-UHFFFAOYSA-N
XLogP4.76
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide (CID 175682914) is N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2nn(C)c3c(-c4cccnc4)cnc(N)c23)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
The InChIKey is ZDZRGGKSSOWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O3S/c1-3-38(35,36)33-22-11-8-18(13-23(22)37-16-17-6-9-20(28)10-7-17)25-24-26(34(2)32-25)21(15-31-27(24)29)19-5-4-12-30-14-19/h4-15,33H,3,16H2,1-2H3,(H2,29,31).
What are the key properties of N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide has a molecular weight of 532.60 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-1-methyl-7-pyridin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide is sourced from PubChem (CID 175682914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).