N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H28F3N5O5 — CID 118172784

IUPACN-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(CO)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H28F3N5O5/c1-24(2,14-34)15-38-20-11-18-16(12-33(31-18)13-22(35)32-6-8-37-9-7-32)10-19(20)30-23(36)17-4-3-5-21(29-17)25(26,27)28/h3-5,10-12,34H,6-9,13-15H2,1-2H3,(H,30,36)
InChIKeyFHZJSTLJVUMYQK-UHFFFAOYSA-N
MW535.52 g/mol
LogP2.96
Rot. Bonds8

About N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172784) has the molecular formula C25H28F3N5O5 and a molecular weight of 535.52 g/mol. Its IUPAC name is N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172784
Molecular FormulaC25H28F3N5O5
Molecular Weight535.52 g/mol
Exact Mass535.20
IUPAC NameN-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(CO)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H28F3N5O5/c1-24(2,14-34)15-38-20-11-18-16(12-33(31-18)13-22(35)32-6-8-37-9-7-32)10-19(20)30-23(36)17-4-3-5-21(29-17)25(26,27)28/h3-5,10-12,34H,6-9,13-15H2,1-2H3,(H,30,36)
InChIKeyFHZJSTLJVUMYQK-UHFFFAOYSA-N
XLogP2.96
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172784) is N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(CO)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FHZJSTLJVUMYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O5/c1-24(2,14-34)15-38-20-11-18-16(12-33(31-18)13-22(35)32-6-8-37-9-7-32)10-19(20)30-23(36)17-4-3-5-21(29-17)25(26,27)28/h3-5,10-12,34H,6-9,13-15H2,1-2H3,(H,30,36).
What are the key properties of N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 535.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxy-2,2-dimethylpropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).