N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C17H15F3N4O3 — CID 121364959

IUPACN-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CCO)nc2cc1CO)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)15-3-1-2-12(21-15)16(27)22-13-6-10-8-24(4-5-25)23-14(10)7-11(13)9-26/h1-3,6-8,25-26H,4-5,9H2,(H,22,27)
InChIKeyUDGUXBZYVQFQBZ-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.19
Rot. Bonds5

About N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 121364959) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID121364959
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC NameN-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CCO)nc2cc1CO)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H15F3N4O3/c18-17(19,20)15-3-1-2-12(21-15)16(27)22-13-6-10-8-24(4-5-25)23-14(10)7-11(13)9-26/h1-3,6-8,25-26H,4-5,9H2,(H,22,27)
InChIKeyUDGUXBZYVQFQBZ-UHFFFAOYSA-N
XLogP2.19
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 121364959) is N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CCO)nc2cc1CO)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UDGUXBZYVQFQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c18-17(19,20)15-3-1-2-12(21-15)16(27)22-13-6-10-8-24(4-5-25)23-14(10)7-11(13)9-26/h1-3,6-8,25-26H,4-5,9H2,(H,22,27).
What are the key properties of N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-6-(hydroxymethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 121364959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).