A1AWT

Name: A1AWT — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₅F₃N₆O₂ — CID 153384514

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1

InChIInChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-22-25-14(26)12-6-3-7-13(23-12)24-15(27)11-5-4-8-21-16(11)28-2/h3-10H,1-2H3,(H,23,24,27)/t10-/m0/s1

InChIKeyWLEICJLPZWEFTH-JTQLQIEISA-N

MW392.34 g/mol

LogP3.12

Rot. Bonds5

About A1AWT

A1AWT (PubChem CID 153384514) has the molecular formula C₁₇H₁₅F₃N₆O₂ and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	A1AWT
PubChem CID	153384514
Molecular Formula	C₁₇H₁₅F₃N₆O₂
Molecular Weight	392.34 g/mol
Exact Mass	392.12
IUPAC Name	2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILES	COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1
InChI	InChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-22-25-14(26)12-6-3-7-13(23-12)24-15(27)11-5-4-8-21-16(11)28-2/h3-10H,1-2H3,(H,23,24,27)/t10-/m0/s1
InChIKey	WLEICJLPZWEFTH-JTQLQIEISA-N
XLogP	3.12
TPSA	94.82 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.34
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of A1AWT?

The IUPAC name of A1AWT (CID 153384514) is 2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for A1AWT?

The canonical SMILES for A1AWT is COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1.

What is the InChIKey of A1AWT?

The InChIKey is WLEICJLPZWEFTH-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-22-25-14(26)12-6-3-7-13(23-12)24-15(27)11-5-4-8-21-16(11)28-2/h3-10H,1-2H3,(H,23,24,27)/t10-/m0/s1.

What are the key properties of A1AWT?

A1AWT has a molecular weight of 392.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for A1AWT is sourced from PubChem (CID 153384514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 153384514 — identifiers, structure, computed properties (public domain)

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