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

C21H26N4O4S — CID 66578915

IUPAC(6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(C3CCCNC3)c1-2
InChIInChI=1S/C21H26N4O4S/c1-14-4-2-6-16-19-17(13-30(27,28)20(14)16)18(21(26)24-8-10-29-11-9-24)23-25(19)15-5-3-7-22-12-15/h2,4,6,15,22H,3,5,7-13H2,1H3
InChIKeyQEYGCJXXGIZKHX-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.54
Rot. Bonds2

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

(6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 66578915) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID66578915
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name(6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(C3CCCNC3)c1-2
InChIInChI=1S/C21H26N4O4S/c1-14-4-2-6-16-19-17(13-30(27,28)20(14)16)18(21(26)24-8-10-29-11-9-24)23-25(19)15-5-3-7-22-12-15/h2,4,6,15,22H,3,5,7-13H2,1H3
InChIKeyQEYGCJXXGIZKHX-UHFFFAOYSA-N
XLogP1.54
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (CID 66578915) is (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is Cc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(C3CCCNC3)c1-2.
What is the InChIKey of (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is QEYGCJXXGIZKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-4-2-6-16-19-17(13-30(27,28)20(14)16)18(21(26)24-8-10-29-11-9-24)23-25(19)15-5-3-7-22-12-15/h2,4,6,15,22H,3,5,7-13H2,1H3.
What are the key properties of (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
(6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 430.53 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-5,5-dioxo-1-piperidin-3-yl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 66578915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).