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

C20H21F3N4O3 — CID 121364976

IUPACN-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H21F3N4O3/c1-19(2,30)13-10-15-12(11-27(26-15)7-4-8-28)9-16(13)25-18(29)14-5-3-6-17(24-14)20(21,22)23/h3,5-6,9-11,28,30H,4,7-8H2,1-2H3,(H,25,29)
InChIKeyGXOWUITWNVSHMM-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.31
Rot. Bonds6

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

N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 121364976) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID121364976
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H21F3N4O3/c1-19(2,30)13-10-15-12(11-27(26-15)7-4-8-28)9-16(13)25-18(29)14-5-3-6-17(24-14)20(21,22)23/h3,5-6,9-11,28,30H,4,7-8H2,1-2H3,(H,25,29)
InChIKeyGXOWUITWNVSHMM-UHFFFAOYSA-N
XLogP3.31
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 121364976) is N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GXOWUITWNVSHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-19(2,30)13-10-15-12(11-27(26-15)7-4-8-28)9-16(13)25-18(29)14-5-3-6-17(24-14)20(21,22)23/h3,5-6,9-11,28,30H,4,7-8H2,1-2H3,(H,25,29).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(2-hydroxypropan-2-yl)-2-(3-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 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-hydroxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 121364976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).