(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

C16H16FN3O2S — CID 53000458

IUPAC(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1-c1cc(F)ccc1SC2
InChIInChI=1S/C16H16FN3O2S/c1-19-15-11-8-10(17)2-3-13(11)23-9-12(15)14(18-19)16(21)20-4-6-22-7-5-20/h2-3,8H,4-7,9H2,1H3
InChIKeyRQYSIGHQDAKCAG-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.30
Rot. Bonds1

About (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 53000458) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID53000458
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1-c1cc(F)ccc1SC2
InChIInChI=1S/C16H16FN3O2S/c1-19-15-11-8-10(17)2-3-13(11)23-9-12(15)14(18-19)16(21)20-4-6-22-7-5-20/h2-3,8H,4-7,9H2,1H3
InChIKeyRQYSIGHQDAKCAG-UHFFFAOYSA-N
XLogP2.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (CID 53000458) is (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is Cn1nc(C(=O)N2CCOCC2)c2c1-c1cc(F)ccc1SC2.
What is the InChIKey of (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is RQYSIGHQDAKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-19-15-11-8-10(17)2-3-13(11)23-9-12(15)14(18-19)16(21)20-4-6-22-7-5-20/h2-3,8H,4-7,9H2,1H3.
What are the key properties of (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 53000458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).