N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C26H29F3N4O4 — CID 154970183

IUPACN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC4CCOCC4)cc3n2)C1
InChIInChI=1S/C26H29F3N4O4/c1-25(2,35)16-11-17(12-16)33-14-15-10-21(22(13-20(15)32-33)37-18-6-8-36-9-7-18)31-24(34)19-4-3-5-23(30-19)26(27,28)29/h3-5,10,13-14,16-18,35H,6-9,11-12H2,1-2H3,(H,31,34)
InChIKeySDTFZFZGNSIUNF-UHFFFAOYSA-N
MW518.54 g/mol
LogP4.98
Rot. Bonds6

About N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154970183) has the molecular formula C26H29F3N4O4 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154970183
Molecular FormulaC26H29F3N4O4
Molecular Weight518.54 g/mol
Exact Mass518.21
IUPAC NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC4CCOCC4)cc3n2)C1
InChIInChI=1S/C26H29F3N4O4/c1-25(2,35)16-11-17(12-16)33-14-15-10-21(22(13-20(15)32-33)37-18-6-8-36-9-7-18)31-24(34)19-4-3-5-23(30-19)26(27,28)29/h3-5,10,13-14,16-18,35H,6-9,11-12H2,1-2H3,(H,31,34)
InChIKeySDTFZFZGNSIUNF-UHFFFAOYSA-N
XLogP4.98
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154970183) is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC4CCOCC4)cc3n2)C1.
What is the InChIKey of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SDTFZFZGNSIUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O4/c1-25(2,35)16-11-17(12-16)33-14-15-10-21(22(13-20(15)32-33)37-18-6-8-36-9-7-18)31-24(34)19-4-3-5-23(30-19)26(27,28)29/h3-5,10,13-14,16-18,35H,6-9,11-12H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(oxan-4-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154970183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).