QM385

Name: QM385 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₈F₃N₇O₂ — CID 137049058

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

IUPAC2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

SMILESCc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1

InChIInChI=1S/C17H18F3N7O2/c1-11-12(15(29)25-7-5-24(6-8-25)10-17(18,19)20)9-21-27(11)16-22-14(28)13-3-2-4-26(13)23-16/h2-4,9H,5-8,10H2,1H3,(H,22,23,28)

InChIKeyGPMQVMCLRRPIIE-UHFFFAOYSA-N

MW409.37 g/mol

LogP0.84

Rot. Bonds3

About QM385

QM385 (PubChem CID 137049058) has the molecular formula C₁₇H₁₈F₃N₇O₂ and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name	QM385
PubChem CID	137049058
Molecular Formula	C₁₇H₁₈F₃N₇O₂
Molecular Weight	409.37 g/mol
Exact Mass	409.15
IUPAC Name	2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILES	Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChI	InChI=1S/C17H18F3N7O2/c1-11-12(15(29)25-7-5-24(6-8-25)10-17(18,19)20)9-21-27(11)16-22-14(28)13-3-2-4-26(13)23-16/h2-4,9H,5-8,10H2,1H3,(H,22,23,28)
InChIKey	GPMQVMCLRRPIIE-UHFFFAOYSA-N
XLogP	0.84
TPSA	91.53 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.37
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of QM385?

The IUPAC name of QM385 (CID 137049058) is 2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

What is the SMILES notation for QM385?

The canonical SMILES for QM385 is Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.

What is the InChIKey of QM385?

The InChIKey is GPMQVMCLRRPIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O2/c1-11-12(15(29)25-7-5-24(6-8-25)10-17(18,19)20)9-21-27(11)16-22-14(28)13-3-2-4-26(13)23-16/h2-4,9H,5-8,10H2,1H3,(H,22,23,28).

What are the key properties of QM385?

QM385 has a molecular weight of 409.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for QM385 is sourced from PubChem (CID 137049058), 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 137049058 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.