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

C23H24F3N5O5 — CID 118172826

IUPACN-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCCO)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O5/c24-23(25,26)20-4-1-3-16(27-20)22(34)28-18-11-15-13-31(14-21(33)30-5-9-35-10-6-30)29-17(15)12-19(18)36-8-2-7-32/h1,3-4,11-13,32H,2,5-10,14H2,(H,28,34)
InChIKeyREVHKRFDQHJECJ-UHFFFAOYSA-N
MW507.47 g/mol
LogP2.32
Rot. Bonds8

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

N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172826) has the molecular formula C23H24F3N5O5 and a molecular weight of 507.47 g/mol. Its IUPAC name is N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172826
Molecular FormulaC23H24F3N5O5
Molecular Weight507.47 g/mol
Exact Mass507.17
IUPAC NameN-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCCO)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O5/c24-23(25,26)20-4-1-3-16(27-20)22(34)28-18-11-15-13-31(14-21(33)30-5-9-35-10-6-30)29-17(15)12-19(18)36-8-2-7-32/h1,3-4,11-13,32H,2,5-10,14H2,(H,28,34)
InChIKeyREVHKRFDQHJECJ-UHFFFAOYSA-N
XLogP2.32
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172826) is N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCCO)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is REVHKRFDQHJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O5/c24-23(25,26)20-4-1-3-16(27-20)22(34)28-18-11-15-13-31(14-21(33)30-5-9-35-10-6-30)29-17(15)12-19(18)36-8-2-7-32/h1,3-4,11-13,32H,2,5-10,14H2,(H,28,34).
What are the key properties of N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 507.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxypropoxy)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).