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

C99H98ClN9O15S5 — CID 161415482

IUPAC3-(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
SMILESCNc1ccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)cc1.COc1cccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)c1.O=C(CCCN1CCOCC1)c1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.O=c1cc(N2CCCCC2)oc2c(-c3ccc(Cl)nc3)csc12.O=c1cc(N2CCOCC2)oc2c(-c3ccc4cc[nH]c4c3)csc12
InChIInChI=1S/C25H28N2O5S.C19H16N2O3S.C19H20N2O2S.C19H19NO3S.C17H15ClN2O2S/c28-21(5-2-6-26-7-11-30-12-8-26)19-4-1-3-18(15-19)20-17-33-25-22(29)16-23(32-24(20)25)27-9-13-31-14-10-27;22-16-10-17(21-5-7-23-8-6-21)24-18-14(11-25-19(16)18)13-2-1-12-3-4-20-15(12)9-13;1-20-14-7-5-13(6-8-14)15-12-24-19-16(22)11-17(23-18(15)19)21-9-3-2-4-10-21;1-22-14-7-5-6-13(10-14)15-12-24-19-16(21)11-17(23-18(15)19)20-8-3-2-4-9-20;18-14-5-4-11(9-19-14)12-10-23-17-13(21)8-15(22-16(12)17)20-6-2-1-3-7-20/h1,3-4,15-17H,2,5-14H2;1-4,9-11,20H,5-8H2;5-8,11-12,20H,2-4,9-10H2,1H3;5-7,10-12H,2-4,8-9H2,1H3;4-5,8-10H,1-3,6-7H2
InChIKeyVWAJYZHAWMQNHQ-UHFFFAOYSA-N
MW1849.71 g/mol
LogP21.13
Rot. Bonds17

About 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

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 (PubChem CID 161415482) has the molecular formula C99H98ClN9O15S5 and a molecular weight of 1849.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID161415482
Molecular FormulaC99H98ClN9O15S5
Molecular Weight1849.71 g/mol
Exact Mass1847.55
IUPAC Name3-(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
SMILESCNc1ccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)cc1.COc1cccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)c1.O=C(CCCN1CCOCC1)c1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.O=c1cc(N2CCCCC2)oc2c(-c3ccc(Cl)nc3)csc12.O=c1cc(N2CCOCC2)oc2c(-c3ccc4cc[nH]c4c3)csc12
InChIInChI=1S/C25H28N2O5S.C19H16N2O3S.C19H20N2O2S.C19H19NO3S.C17H15ClN2O2S/c28-21(5-2-6-26-7-11-30-12-8-26)19-4-1-3-18(15-19)20-17-33-25-22(29)16-23(32-24(20)25)27-9-13-31-14-10-27;22-16-10-17(21-5-7-23-8-6-21)24-18-14(11-25-19(16)18)13-2-1-12-3-4-20-15(12)9-13;1-20-14-7-5-13(6-8-14)15-12-24-19-16(22)11-17(23-18(15)19)21-9-3-2-4-10-21;1-22-14-7-5-6-13(10-14)15-12-24-19-16(21)11-17(23-18(15)19)20-8-3-2-4-9-20;18-14-5-4-11(9-19-14)12-10-23-17-13(21)8-15(22-16(12)17)20-6-2-1-3-7-20/h1,3-4,15-17H,2,5-14H2;1-4,9-11,20H,5-8H2;5-8,11-12,20H,2-4,9-10H2,1H3;5-7,10-12H,2-4,8-9H2,1H3;4-5,8-10H,1-3,6-7H2
InChIKeyVWAJYZHAWMQNHQ-UHFFFAOYSA-N
XLogP21.13
TPSA265.19 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.71
LogP ≤ 521.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)cc1.COc1cccc(-c2csc3c(=O)cc(N4CCCCC4)oc23)c1.O=C(CCCN1CCOCC1)c1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.O=c1cc(N2CCCCC2)oc2c(-c3ccc(Cl)nc3)csc12.O=c1cc(N2CCOCC2)oc2c(-c3ccc4cc[nH]c4c3)csc12.
What is the InChIKey of 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?
The InChIKey is VWAJYZHAWMQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S.C19H16N2O3S.C19H20N2O2S.C19H19NO3S.C17H15ClN2O2S/c28-21(5-2-6-26-7-11-30-12-8-26)19-4-1-3-18(15-19)20-17-33-25-22(29)16-23(32-24(20)25)27-9-13-31-14-10-27;22-16-10-17(21-5-7-23-8-6-21)24-18-14(11-25-19(16)18)13-2-1-12-3-4-20-15(12)9-13;1-20-14-7-5-13(6-8-14)15-12-24-19-16(22)11-17(23-18(15)19)21-9-3-2-4-10-21;1-22-14-7-5-6-13(10-14)15-12-24-19-16(21)11-17(23-18(15)19)20-8-3-2-4-9-20;18-14-5-4-11(9-19-14)12-10-23-17-13(21)8-15(22-16(12)17)20-6-2-1-3-7-20/h1,3-4,15-17H,2,5-14H2;1-4,9-11,20H,5-8H2;5-8,11-12,20H,2-4,9-10H2,1H3;5-7,10-12H,2-4,8-9H2,1H3;4-5,8-10H,1-3,6-7H2.
What are the key properties of 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?
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 has a molecular weight of 1849.71 g/mol, XLogP of 21.13, 17 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161415482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).