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

C17H19N3O3S — CID 123469862

IUPAC(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(c1)SCc1c(C(=O)N3CCOCC3)nn(C)c1-2
InChIInChI=1S/C17H19N3O3S/c1-19-16-12-4-3-11(22-2)9-14(12)24-10-13(16)15(18-19)17(21)20-5-7-23-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyLUGWMPYGDQKFRA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.17
Rot. Bonds2

About (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 123469862) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID123469862
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(c1)SCc1c(C(=O)N3CCOCC3)nn(C)c1-2
InChIInChI=1S/C17H19N3O3S/c1-19-16-12-4-3-11(22-2)9-14(12)24-10-13(16)15(18-19)17(21)20-5-7-23-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyLUGWMPYGDQKFRA-UHFFFAOYSA-N
XLogP2.17
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-methoxy-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 (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (CID 123469862) is (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is COc1ccc2c(c1)SCc1c(C(=O)N3CCOCC3)nn(C)c1-2.
What is the InChIKey of (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is LUGWMPYGDQKFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-19-16-12-4-3-11(22-2)9-14(12)24-10-13(16)15(18-19)17(21)20-5-7-23-8-6-20/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 345.42 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 123469862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).