[7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C24H32N4O6S — CID 66581112

IUPAC[7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOCCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccc(OC)cc2S(=O)(=O)C3)C1
InChIInChI=1S/C24H32N4O6S/c1-32-11-8-26-7-3-4-17(15-26)28-23-19-6-5-18(33-2)14-21(19)35(30,31)16-20(23)22(25-28)24(29)27-9-12-34-13-10-27/h5-6,14,17H,3-4,7-13,15-16H2,1-2H3/t17-/m0/s1
InChIKeyBQXCOOOANMKMJT-KRWDZBQOSA-N
MW504.61 g/mol
LogP1.60
Rot. Bonds6

About [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 66581112) has the molecular formula C24H32N4O6S and a molecular weight of 504.61 g/mol. Its IUPAC name is [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID66581112
Molecular FormulaC24H32N4O6S
Molecular Weight504.61 g/mol
Exact Mass504.20
IUPAC Name[7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOCCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccc(OC)cc2S(=O)(=O)C3)C1
InChIInChI=1S/C24H32N4O6S/c1-32-11-8-26-7-3-4-17(15-26)28-23-19-6-5-18(33-2)14-21(19)35(30,31)16-20(23)22(25-28)24(29)27-9-12-34-13-10-27/h5-6,14,17H,3-4,7-13,15-16H2,1-2H3/t17-/m0/s1
InChIKeyBQXCOOOANMKMJT-KRWDZBQOSA-N
XLogP1.60
TPSA103.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-[2-(4-Ethoxyphenyl)ethyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017196
[4-(4-Methoxyphenyl)-1-piperazinyl](1-methyl-5,5-dioxido-1,4-dihydrothiochromeno[4,3-C]pyrazol-3-YL)methanone
CID 16017760
N-[(4-methoxyphenyl)methyl]-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017780
N-(2-ethoxybenzyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 16017807
N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 22519950
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 22519923
6-Methoxy-3-(morpholin-4-ylcarbonyl)-1-phenyl-1,4-dihydrothiochromeno[4,3-c]pyrazole 5,5-dioxide
CID 52950345
(7-methoxy-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 52950386
(7-methoxy-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 52950387
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 52950391
[1-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 52950432
[1-[3-(2-methoxyethoxy)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66578720

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 66581112) is [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is COCCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccc(OC)cc2S(=O)(=O)C3)C1.
What is the InChIKey of [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BQXCOOOANMKMJT-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H32N4O6S/c1-32-11-8-26-7-3-4-17(15-26)28-23-19-6-5-18(33-2)14-21(19)35(30,31)16-20(23)22(25-28)24(29)27-9-12-34-13-10-27/h5-6,14,17H,3-4,7-13,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 504.61 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-1-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 66581112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).