(3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone

C19H23N3OS — CID 22517064

IUPAC(3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)C1
InChIInChI=1S/C19H23N3OS/c1-12-8-13(2)10-22(9-12)19(23)17-15-11-24-16-7-5-4-6-14(16)18(15)21(3)20-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFAAJNPACFAXRKD-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.81
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone (PubChem CID 22517064) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
PubChem CID22517064
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)C1
InChIInChI=1S/C19H23N3OS/c1-12-8-13(2)10-22(9-12)19(23)17-15-11-24-16-7-5-4-6-14(16)18(15)21(3)20-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFAAJNPACFAXRKD-UHFFFAOYSA-N
XLogP3.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone 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 (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone (CID 22517064) is (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone is CC1CC(C)CN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone?
The InChIKey is FAAJNPACFAXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-12-8-13(2)10-22(9-12)19(23)17-15-11-24-16-7-5-4-6-14(16)18(15)21(3)20-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone has a molecular weight of 341.48 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone is sourced from PubChem (CID 22517064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).