QHEGVIHJQFSEEC-IFXJQAMLSA-N

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

C₁₉H₂₁FN₆O₅ — CID 118496306

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

IUPACtert-butyl (2R)-2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoate

SMILESCC(C)(C)OC(=O)[C@](C)(O)[C@H]1OCCN(c2nn(-c3cnnc(C#N)c3)cc2F)C1=O

InChIInChI=1S/C19H21FN6O5/c1-18(2,3)31-17(28)19(4,29)14-16(27)25(5-6-30-14)15-13(20)10-26(24-15)12-7-11(8-21)23-22-9-12/h7,9-10,14,29H,5-6H2,1-4H3/t14-,19+/m0/s1

InChIKeyQHEGVIHJQFSEEC-IFXJQAMLSA-N

MW432.41 g/mol

LogP0.50

Rot. Bonds4

About QHEGVIHJQFSEEC-IFXJQAMLSA-N

QHEGVIHJQFSEEC-IFXJQAMLSA-N (PubChem CID 118496306) has the molecular formula C₁₉H₂₁FN₆O₅ and a molecular weight of 432.41 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoate.

Molecular Properties

Compound Name	QHEGVIHJQFSEEC-IFXJQAMLSA-N
PubChem CID	118496306
Molecular Formula	C₁₉H₂₁FN₆O₅
Molecular Weight	432.41 g/mol
Exact Mass	432.16
IUPAC Name	tert-butyl (2R)-2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoate
SMILES	CC(C)(C)OC(=O)[C@](C)(O)[C@H]1OCCN(c2nn(-c3cnnc(C#N)c3)cc2F)C1=O
InChI	InChI=1S/C19H21FN6O5/c1-18(2,3)31-17(28)19(4,29)14-16(27)25(5-6-30-14)15-13(20)10-26(24-15)12-7-11(8-21)23-22-9-12/h7,9-10,14,29H,5-6H2,1-4H3/t14-,19+/m0/s1
InChIKey	QHEGVIHJQFSEEC-IFXJQAMLSA-N
XLogP	0.50
TPSA	143.46 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.41
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of QHEGVIHJQFSEEC-IFXJQAMLSA-N?

The IUPAC name of QHEGVIHJQFSEEC-IFXJQAMLSA-N (CID 118496306) is tert-butyl (2R)-2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)-4-fluoropyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxypropanoate.

What is the SMILES notation for QHEGVIHJQFSEEC-IFXJQAMLSA-N?

The canonical SMILES for QHEGVIHJQFSEEC-IFXJQAMLSA-N is CC(C)(C)OC(=O)[C@](C)(O)[C@H]1OCCN(c2nn(-c3cnnc(C#N)c3)cc2F)C1=O.

What is the InChIKey of QHEGVIHJQFSEEC-IFXJQAMLSA-N?

The InChIKey is QHEGVIHJQFSEEC-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H21FN6O5/c1-18(2,3)31-17(28)19(4,29)14-16(27)25(5-6-30-14)15-13(20)10-26(24-15)12-7-11(8-21)23-22-9-12/h7,9-10,14,29H,5-6H2,1-4H3/t14-,19+/m0/s1.

What are the key properties of QHEGVIHJQFSEEC-IFXJQAMLSA-N?

QHEGVIHJQFSEEC-IFXJQAMLSA-N has a molecular weight of 432.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for QHEGVIHJQFSEEC-IFXJQAMLSA-N is sourced from PubChem (CID 118496306), 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 118496306 — 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.