HYEPQOALDYDDCF-JTQLQIEISA-N

Name: HYEPQOALDYDDCF-JTQLQIEISA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉F₃N₈O — CID 122516578

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

IUPAC5-[(3S)-3-aminopiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCC[C@H](N)C4)nc23)c(C(F)(F)F)n1

InChIInChI=1S/C17H19F3N8O/c1-26-9-12(14(25-26)17(18,19)20)23-16(29)11-7-22-28-6-4-13(24-15(11)28)27-5-2-3-10(21)8-27/h4,6-7,9-10H,2-3,5,8,21H2,1H3,(H,23,29)/t10-/m0/s1

InChIKeyHYEPQOALDYDDCF-JTQLQIEISA-N

MW408.39 g/mol

LogP1.66

Rot. Bonds3

About HYEPQOALDYDDCF-JTQLQIEISA-N

HYEPQOALDYDDCF-JTQLQIEISA-N (PubChem CID 122516578) has the molecular formula C₁₇H₁₉F₃N₈O and a molecular weight of 408.39 g/mol. Its IUPAC name is 5-[(3S)-3-aminopiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	HYEPQOALDYDDCF-JTQLQIEISA-N
PubChem CID	122516578
Molecular Formula	C₁₇H₁₉F₃N₈O
Molecular Weight	408.39 g/mol
Exact Mass	408.16
IUPAC Name	5-[(3S)-3-aminopiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	Cn1cc(NC(=O)c2cnn3ccc(N4CCC[C@H](N)C4)nc23)c(C(F)(F)F)n1
InChI	InChI=1S/C17H19F3N8O/c1-26-9-12(14(25-26)17(18,19)20)23-16(29)11-7-22-28-6-4-13(24-15(11)28)27-5-2-3-10(21)8-27/h4,6-7,9-10H,2-3,5,8,21H2,1H3,(H,23,29)/t10-/m0/s1
InChIKey	HYEPQOALDYDDCF-JTQLQIEISA-N
XLogP	1.66
TPSA	106.37 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.39
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of HYEPQOALDYDDCF-JTQLQIEISA-N?

The IUPAC name of HYEPQOALDYDDCF-JTQLQIEISA-N (CID 122516578) is 5-[(3S)-3-aminopiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for HYEPQOALDYDDCF-JTQLQIEISA-N?

The canonical SMILES for HYEPQOALDYDDCF-JTQLQIEISA-N is Cn1cc(NC(=O)c2cnn3ccc(N4CCC[C@H](N)C4)nc23)c(C(F)(F)F)n1.

What is the InChIKey of HYEPQOALDYDDCF-JTQLQIEISA-N?

The InChIKey is HYEPQOALDYDDCF-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19F3N8O/c1-26-9-12(14(25-26)17(18,19)20)23-16(29)11-7-22-28-6-4-13(24-15(11)28)27-5-2-3-10(21)8-27/h4,6-7,9-10H,2-3,5,8,21H2,1H3,(H,23,29)/t10-/m0/s1.

What are the key properties of HYEPQOALDYDDCF-JTQLQIEISA-N?

HYEPQOALDYDDCF-JTQLQIEISA-N has a molecular weight of 408.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for HYEPQOALDYDDCF-JTQLQIEISA-N is sourced from PubChem (CID 122516578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122516578 — identifiers, structure, computed properties (public domain)

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