N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H22F6N4O3 — CID 121364953

IUPACN-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCOCC(F)(F)F)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F6N4O3/c1-20(2,34)14-10-16-13(11-32(31-16)7-4-8-35-12-21(23,24)25)9-17(14)30-19(33)15-5-3-6-18(29-15)22(26,27)28/h3,5-6,9-11,34H,4,7-8,12H2,1-2H3,(H,30,33)
InChIKeyANRGZJLZBFJJTI-UHFFFAOYSA-N
MW504.43 g/mol
LogP4.90
Rot. Bonds8

About N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 121364953) has the molecular formula C22H22F6N4O3 and a molecular weight of 504.43 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID121364953
Molecular FormulaC22H22F6N4O3
Molecular Weight504.43 g/mol
Exact Mass504.16
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCOCC(F)(F)F)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F6N4O3/c1-20(2,34)14-10-16-13(11-32(31-16)7-4-8-35-12-21(23,24)25)9-17(14)30-19(33)15-5-3-6-18(29-15)22(26,27)28/h3,5-6,9-11,34H,4,7-8,12H2,1-2H3,(H,30,33)
InChIKeyANRGZJLZBFJJTI-UHFFFAOYSA-N
XLogP4.90
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 121364953) is N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CCCOCC(F)(F)F)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ANRGZJLZBFJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N4O3/c1-20(2,34)14-10-16-13(11-32(31-16)7-4-8-35-12-21(23,24)25)9-17(14)30-19(33)15-5-3-6-18(29-15)22(26,27)28/h3,5-6,9-11,34H,4,7-8,12H2,1-2H3,(H,30,33).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 504.43 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 121364953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).