furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone

C25H26N4O6S — CID 66581178

IUPACfuran-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1
InChIInChI=1S/C25H26N4O6S/c30-24(17-7-11-35-15-17)28-8-3-4-18(14-28)29-23-19-5-1-2-6-21(19)36(32,33)16-20(23)22(26-29)25(31)27-9-12-34-13-10-27/h1-2,5-7,11,15,18H,3-4,8-10,12-14,16H2/t18-/m0/s1
InChIKeyRJPQDGBWPPNUQX-SFHVURJKSA-N
MW510.57 g/mol
LogP2.38
Rot. Bonds3

About furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone

furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 66581178) has the molecular formula C25H26N4O6S and a molecular weight of 510.57 g/mol. Its IUPAC name is furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID66581178
Molecular FormulaC25H26N4O6S
Molecular Weight510.57 g/mol
Exact Mass510.16
IUPAC Namefuran-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1
InChIInChI=1S/C25H26N4O6S/c30-24(17-7-11-35-15-17)28-8-3-4-18(14-28)29-23-19-5-1-2-6-21(19)36(32,33)16-20(23)22(26-29)25(31)27-9-12-34-13-10-27/h1-2,5-7,11,15,18H,3-4,8-10,12-14,16H2/t18-/m0/s1
InChIKeyRJPQDGBWPPNUQX-SFHVURJKSA-N
XLogP2.38
TPSA114.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.57
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-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 furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone (CID 66581178) is furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1.
What is the InChIKey of furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is RJPQDGBWPPNUQX-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N4O6S/c30-24(17-7-11-35-15-17)28-8-3-4-18(14-28)29-23-19-5-1-2-6-21(19)36(32,33)16-20(23)22(26-29)25(31)27-9-12-34-13-10-27/h1-2,5-7,11,15,18H,3-4,8-10,12-14,16H2/t18-/m0/s1.
What are the key properties of furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone?
furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 510.57 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 66581178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).