(6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

C20H23ClN4O3S — CID 123761543

IUPAC(6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nn(C2CCCNC2)c2c1CS(=O)c1c(Cl)cccc1-2)N1CCOCC1
InChIInChI=1S/C20H23ClN4O3S/c21-16-5-1-4-14-18-15(12-29(27)19(14)16)17(20(26)24-7-9-28-10-8-24)23-25(18)13-3-2-6-22-11-13/h1,4-5,13,22H,2-3,6-12H2
InChIKeyAWSQSEIMZUAMFS-UHFFFAOYSA-N
MW434.95 g/mol
LogP2.22
Rot. Bonds2

About (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

(6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 123761543) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID123761543
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name(6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nn(C2CCCNC2)c2c1CS(=O)c1c(Cl)cccc1-2)N1CCOCC1
InChIInChI=1S/C20H23ClN4O3S/c21-16-5-1-4-14-18-15(12-29(27)19(14)16)17(20(26)24-7-9-28-10-8-24)23-25(18)13-3-2-6-22-11-13/h1,4-5,13,22H,2-3,6-12H2
InChIKeyAWSQSEIMZUAMFS-UHFFFAOYSA-N
XLogP2.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-chloro-5-oxo-1-piperidin-3-yl-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

Related Compounds

[5,5-dioxo-1-[(3S)-piperidin-3-yl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66581109
(6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 66578915
(7-fluoro-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 66580960
[6-chloro-1-[(3S)-1-(2-morpholin-4-ylethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66580679
tert-butyl 3-[6-chloro-3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidine-1-carboxylate
CID 66580869
[1-(1-methylazepan-4-yl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66580635
[6-chloro-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 77147856
morpholin-4-yl-[5-oxo-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]methanone
CID 122545716
[1-(4-fluorophenyl)-5-oxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 122545833
[1-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66581207
morpholin-4-yl-(1-piperidin-3-yltriazol-4-yl)methanone
CID 102537912
morpholin-4-yl-[1-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]methanone
CID 66580749

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (CID 123761543) is (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is O=C(c1nn(C2CCCNC2)c2c1CS(=O)c1c(Cl)cccc1-2)N1CCOCC1.
What is the InChIKey of (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is AWSQSEIMZUAMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c21-16-5-1-4-14-18-15(12-29(27)19(14)16)17(20(26)24-7-9-28-10-8-24)23-25(18)13-3-2-6-22-11-13/h1,4-5,13,22H,2-3,6-12H2.
What are the key properties of (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
(6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 434.95 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-oxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 123761543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).