3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one

C90H85N7O12S6 — CID 161111239

IUPAC3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one
SMILESCc1ccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)cc1.Cc1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.Nc1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.O=c1cc(N2CCCCC2)oc2c(-c3cc4ccccc4[nH]3)csc12.O=c1cc(N2CCCCC2)oc2c(-c3cccs3)csc12
InChIInChI=1S/C20H18N2O2S.C19H19NO2S.C18H17NO3S.C17H16N2O3S.C16H15NO2S2/c23-17-11-18(22-8-4-1-5-9-22)24-19-14(12-25-20(17)19)16-10-13-6-2-3-7-15(13)21-16;1-13-5-7-14(8-6-13)15-12-23-19-16(21)11-17(22-18(15)19)20-9-3-2-4-10-20;1-12-3-2-4-13(9-12)14-11-23-18-15(20)10-16(22-17(14)18)19-5-7-21-8-6-19;18-12-3-1-2-11(8-12)13-10-23-17-14(20)9-15(22-16(13)17)19-4-6-21-7-5-19;18-12-9-14(17-6-2-1-3-7-17)19-15-11(10-21-16(12)15)13-5-4-8-20-13/h2-3,6-7,10-12,21H,1,4-5,8-9H2;5-8,11-12H,2-4,9-10H2,1H3;2-4,9-11H,5-8H2,1H3;1-3,8-10H,4-7,18H2;4-5,8-10H,1-3,6-7H2
InChIKeyUJSJOXZEYMPMFM-UHFFFAOYSA-N
MW1649.11 g/mol
LogP20.99
Rot. Bonds10

About 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one

3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one (PubChem CID 161111239) has the molecular formula C90H85N7O12S6 and a molecular weight of 1649.11 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one
PubChem CID161111239
Molecular FormulaC90H85N7O12S6
Molecular Weight1649.11 g/mol
Exact Mass1647.46
IUPAC Name3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one
SMILESCc1ccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)cc1.Cc1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.Nc1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.O=c1cc(N2CCCCC2)oc2c(-c3cc4ccccc4[nH]3)csc12.O=c1cc(N2CCCCC2)oc2c(-c3cccs3)csc12
InChIInChI=1S/C20H18N2O2S.C19H19NO2S.C18H17NO3S.C17H16N2O3S.C16H15NO2S2/c23-17-11-18(22-8-4-1-5-9-22)24-19-14(12-25-20(17)19)16-10-13-6-2-3-7-15(13)21-16;1-13-5-7-14(8-6-13)15-12-23-19-16(21)11-17(22-18(15)19)20-9-3-2-4-10-20;1-12-3-2-4-13(9-12)14-11-23-18-15(20)10-16(22-17(14)18)19-5-7-21-8-6-19;18-12-3-1-2-11(8-12)13-10-23-17-14(20)9-15(22-16(13)17)19-4-6-21-7-5-19;18-12-9-14(17-6-2-1-3-7-17)19-15-11(10-21-16(12)15)13-5-4-8-20-13/h2-3,6-7,10-12,21H,1,4-5,8-9H2;5-8,11-12H,2-4,9-10H2,1H3;2-4,9-11H,5-8H2,1H3;1-3,8-10H,4-7,18H2;4-5,8-10H,1-3,6-7H2
InChIKeyUJSJOXZEYMPMFM-UHFFFAOYSA-N
XLogP20.99
TPSA227.52 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.11
LogP ≤ 520.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one with MolForge

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Launch Full Analysis

Related Compounds

3-(6-chloro-3-pyridinyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(3-methoxyphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-[4-(methylamino)phenyl]-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-3-[3-(4-morpholin-4-ylbutanoyl)phenyl]thieno[3,2-b]pyran-7-one
CID 161415482

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one?
The IUPAC name of 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one (CID 161111239) is 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one.
What is the SMILES notation for 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one?
The canonical SMILES for 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one is Cc1ccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)cc1.Cc1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.Nc1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.O=c1cc(N2CCCCC2)oc2c(-c3cc4ccccc4[nH]3)csc12.O=c1cc(N2CCCCC2)oc2c(-c3cccs3)csc12.
What is the InChIKey of 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one?
The InChIKey is UJSJOXZEYMPMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S.C19H19NO2S.C18H17NO3S.C17H16N2O3S.C16H15NO2S2/c23-17-11-18(22-8-4-1-5-9-22)24-19-14(12-25-20(17)19)16-10-13-6-2-3-7-15(13)21-16;1-13-5-7-14(8-6-13)15-12-23-19-16(21)11-17(22-18(15)19)20-9-3-2-4-10-20;1-12-3-2-4-13(9-12)14-11-23-18-15(20)10-16(22-17(14)18)19-5-7-21-8-6-19;18-12-3-1-2-11(8-12)13-10-23-17-14(20)9-15(22-16(13)17)19-4-6-21-7-5-19;18-12-9-14(17-6-2-1-3-7-17)19-15-11(10-21-16(12)15)13-5-4-8-20-13/h2-3,6-7,10-12,21H,1,4-5,8-9H2;5-8,11-12H,2-4,9-10H2,1H3;2-4,9-11H,5-8H2,1H3;1-3,8-10H,4-7,18H2;4-5,8-10H,1-3,6-7H2.
What are the key properties of 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one?
3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one has a molecular weight of 1649.11 g/mol, XLogP of 20.99, 10 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one is sourced from PubChem (CID 161111239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).