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

C18H17F3N4O3 — CID 121364951

IUPACN-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CO)cc2n1
InChIInChI=1S/C18H17F3N4O3/c1-28-6-5-25-9-11-7-14(12(10-26)8-15(11)24-25)23-17(27)13-3-2-4-16(22-13)18(19,20)21/h2-4,7-9,26H,5-6,10H2,1H3,(H,23,27)
InChIKeyZNGQNAHACQRGPL-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.84
Rot. Bonds6

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

N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 121364951) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID121364951
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CO)cc2n1
InChIInChI=1S/C18H17F3N4O3/c1-28-6-5-25-9-11-7-14(12(10-26)8-15(11)24-25)23-17(27)13-3-2-4-16(22-13)18(19,20)21/h2-4,7-9,26H,5-6,10H2,1H3,(H,23,27)
InChIKeyZNGQNAHACQRGPL-UHFFFAOYSA-N
XLogP2.84
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Zabedosertib
CID 121364961
Irak4-IN-20
CID 121364971
CID 146386401
CID 146386401
US9951086, Example 1
CID 118172966
US10308634, Example 3
CID 121364974
N-[6-(2-hydroxypropan-2-yl)-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146380057
N-[2-(azetidin-3-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146386400
N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 147394543
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(1-hydroxyethyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 73438246
N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(1-hydroxyethyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 73438301
US10435396, Example 55
CID 137377404
N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146598926

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 121364951) is N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CO)cc2n1.
What is the InChIKey of N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ZNGQNAHACQRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-28-6-5-25-9-11-7-14(12(10-26)8-15(11)24-25)23-17(27)13-3-2-4-16(22-13)18(19,20)21/h2-4,7-9,26H,5-6,10H2,1H3,(H,23,27).
What are the key properties of N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxymethyl)-2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 121364951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).