N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H20F4N4O2 — CID 154970409

IUPACN-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)C1
InChIInChI=1S/C21H20F4N4O2/c1-20(2,31)12-7-13(8-12)29-10-11-6-17(14(22)9-16(11)28-29)27-19(30)15-4-3-5-18(26-15)21(23,24)25/h3-6,9-10,12-13,31H,7-8H2,1-2H3,(H,27,30)
InChIKeyLAFSJHDBXKMFKA-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.56
Rot. Bonds4

About N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154970409) has the molecular formula C21H20F4N4O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154970409
Molecular FormulaC21H20F4N4O2
Molecular Weight436.41 g/mol
Exact Mass436.15
IUPAC NameN-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)C1
InChIInChI=1S/C21H20F4N4O2/c1-20(2,31)12-7-13(8-12)29-10-11-6-17(14(22)9-16(11)28-29)27-19(30)15-4-3-5-18(26-15)21(23,24)25/h3-6,9-10,12-13,31H,7-8H2,1-2H3,(H,27,30)
InChIKeyLAFSJHDBXKMFKA-UHFFFAOYSA-N
XLogP4.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154970409) is N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)C1.
What is the InChIKey of N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LAFSJHDBXKMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O2/c1-20(2,31)12-7-13(8-12)29-10-11-6-17(14(22)9-16(11)28-29)27-19(30)15-4-3-5-18(26-15)21(23,24)25/h3-6,9-10,12-13,31H,7-8H2,1-2H3,(H,27,30).
What are the key properties of N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154970409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).