QMYRYZBJLULLTM-UHFFFAOYSA-N

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

C₁₆H₁₆F₃N₇OS — CID 122515300

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

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide

SMILESCn1cc(NC(=O)c2csc3ncc(N4CCNCC4)nc23)c(C(F)(F)F)n1

InChIInChI=1S/C16H16F3N7OS/c1-25-7-10(13(24-25)16(17,18)19)22-14(27)9-8-28-15-12(9)23-11(6-21-15)26-4-2-20-3-5-26/h6-8,20H,2-5H2,1H3,(H,22,27)

InChIKeyQMYRYZBJLULLTM-UHFFFAOYSA-N

MW411.41 g/mol

LogP2.11

Rot. Bonds3

About QMYRYZBJLULLTM-UHFFFAOYSA-N

QMYRYZBJLULLTM-UHFFFAOYSA-N (PubChem CID 122515300) has the molecular formula C₁₆H₁₆F₃N₇OS and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name	QMYRYZBJLULLTM-UHFFFAOYSA-N
PubChem CID	122515300
Molecular Formula	C₁₆H₁₆F₃N₇OS
Molecular Weight	411.41 g/mol
Exact Mass	411.11
IUPAC Name	N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
SMILES	Cn1cc(NC(=O)c2csc3ncc(N4CCNCC4)nc23)c(C(F)(F)F)n1
InChI	InChI=1S/C16H16F3N7OS/c1-25-7-10(13(24-25)16(17,18)19)22-14(27)9-8-28-15-12(9)23-11(6-21-15)26-4-2-20-3-5-26/h6-8,20H,2-5H2,1H3,(H,22,27)
InChIKey	QMYRYZBJLULLTM-UHFFFAOYSA-N
XLogP	2.11
TPSA	87.97 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.41
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of QMYRYZBJLULLTM-UHFFFAOYSA-N?

The IUPAC name of QMYRYZBJLULLTM-UHFFFAOYSA-N (CID 122515300) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for QMYRYZBJLULLTM-UHFFFAOYSA-N?

The canonical SMILES for QMYRYZBJLULLTM-UHFFFAOYSA-N is Cn1cc(NC(=O)c2csc3ncc(N4CCNCC4)nc23)c(C(F)(F)F)n1.

What is the InChIKey of QMYRYZBJLULLTM-UHFFFAOYSA-N?

The InChIKey is QMYRYZBJLULLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7OS/c1-25-7-10(13(24-25)16(17,18)19)22-14(27)9-8-28-15-12(9)23-11(6-21-15)26-4-2-20-3-5-26/h6-8,20H,2-5H2,1H3,(H,22,27).

What are the key properties of QMYRYZBJLULLTM-UHFFFAOYSA-N?

QMYRYZBJLULLTM-UHFFFAOYSA-N has a molecular weight of 411.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for QMYRYZBJLULLTM-UHFFFAOYSA-N is sourced from PubChem (CID 122515300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 122515300 — identifiers, structure, computed properties (public domain)

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