4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H26F4N6O3S — CID 141470682

IUPAC4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN(c1ccccc1CNc1nc(-c2cc(F)c(O)cc2CC(F)(F)F)cc2[nH]nc(C(N)=O)c12)S(=O)CC
InChIInChI=1S/C26H26F4N6O3S/c1-3-36(40(39)4-2)20-8-6-5-7-14(20)13-32-25-22-19(34-35-23(22)24(31)38)11-18(33-25)16-10-17(27)21(37)9-15(16)12-26(28,29)30/h5-11,37H,3-4,12-13H2,1-2H3,(H2,31,38)(H,32,33)(H,34,35)
InChIKeyMFIVXETXQHAPJA-UHFFFAOYSA-N
MW578.59 g/mol
LogP4.80
Rot. Bonds10

About 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 141470682) has the molecular formula C26H26F4N6O3S and a molecular weight of 578.59 g/mol. Its IUPAC name is 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID141470682
Molecular FormulaC26H26F4N6O3S
Molecular Weight578.59 g/mol
Exact Mass578.17
IUPAC Name4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN(c1ccccc1CNc1nc(-c2cc(F)c(O)cc2CC(F)(F)F)cc2[nH]nc(C(N)=O)c12)S(=O)CC
InChIInChI=1S/C26H26F4N6O3S/c1-3-36(40(39)4-2)20-8-6-5-7-14(20)13-32-25-22-19(34-35-23(22)24(31)38)11-18(33-25)16-10-17(27)21(37)9-15(16)12-26(28,29)30/h5-11,37H,3-4,12-13H2,1-2H3,(H2,31,38)(H,32,33)(H,34,35)
InChIKeyMFIVXETXQHAPJA-UHFFFAOYSA-N
XLogP4.80
TPSA137.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.59
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 141470682) is 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCN(c1ccccc1CNc1nc(-c2cc(F)c(O)cc2CC(F)(F)F)cc2[nH]nc(C(N)=O)c12)S(=O)CC.
What is the InChIKey of 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MFIVXETXQHAPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N6O3S/c1-3-36(40(39)4-2)20-8-6-5-7-14(20)13-32-25-22-19(34-35-23(22)24(31)38)11-18(33-25)16-10-17(27)21(37)9-15(16)12-26(28,29)30/h5-11,37H,3-4,12-13H2,1-2H3,(H2,31,38)(H,32,33)(H,34,35).
What are the key properties of 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 578.59 g/mol, XLogP of 4.80, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl(ethylsulfinyl)amino]phenyl]methylamino]-6-[5-fluoro-4-hydroxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 141470682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).