N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H23F3N6O2 — CID 164801976

IUPACN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-n4cccn4)cc3n2)C1
InChIInChI=1S/C24H23F3N6O2/c1-23(2,35)15-10-16(11-15)33-13-14-9-19(20(12-18(14)31-33)32-8-4-7-28-32)30-22(34)17-5-3-6-21(29-17)24(25,26)27/h3-9,12-13,15-16,35H,10-11H2,1-2H3,(H,30,34)
InChIKeyXGLCTTMLNAJEHM-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.61
Rot. Bonds5

About N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164801976) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164801976
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-n4cccn4)cc3n2)C1
InChIInChI=1S/C24H23F3N6O2/c1-23(2,35)15-10-16(11-15)33-13-14-9-19(20(12-18(14)31-33)32-8-4-7-28-32)30-22(34)17-5-3-6-21(29-17)24(25,26)27/h3-9,12-13,15-16,35H,10-11H2,1-2H3,(H,30,34)
InChIKeyXGLCTTMLNAJEHM-UHFFFAOYSA-N
XLogP4.61
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.61
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-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164801976) is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-n4cccn4)cc3n2)C1.
What is the InChIKey of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XGLCTTMLNAJEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-23(2,35)15-10-16(11-15)33-13-14-9-19(20(12-18(14)31-33)32-8-4-7-28-32)30-22(34)17-5-3-6-21(29-17)24(25,26)27/h3-9,12-13,15-16,35H,10-11H2,1-2H3,(H,30,34).
What are the key properties of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.61, 5 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-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164801976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).