1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one

C81H87N19O9S2 — CID 159756876

IUPAC1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
SMILESCN1CCN(c2ccc(CC(=O)CCc3nc(-c4ccncc4)no3)cn2)CC1.CN1CCN(c2ccc(CC(=O)Cc3csc(-c4ccccn4)n3)cn2)CC1.O=C(CCc1nc(-c2ccncc2)no1)Cc1ccc(N2CCOCC2)nc1.O=C(Cc1ccc(N2CCOCC2)nc1)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C21H24N6O2.C21H23N5OS.C20H21N5O3.C19H19N3O3S/c1-26-10-12-27(13-11-26)19-4-2-16(15-23-19)14-18(28)3-5-20-24-21(25-29-20)17-6-8-22-9-7-17;1-25-8-10-26(11-9-25)20-6-5-16(14-23-20)12-18(27)13-17-15-28-21(24-17)19-4-2-3-7-22-19;26-17(2-4-19-23-20(24-28-19)16-5-7-21-8-6-16)13-15-1-3-18(22-14-15)25-9-11-27-12-10-25;23-16(11-15-13-26-19(21-15)17-2-1-7-25-17)10-14-3-4-18(20-12-14)22-5-8-24-9-6-22/h2,4,6-9,15H,3,5,10-14H2,1H3;2-7,14-15H,8-13H2,1H3;1,3,5-8,14H,2,4,9-13H2;1-4,7,12-13H,5-6,8-11H2
InChIKeyNEJMRGCXXGMZEJ-UHFFFAOYSA-N
MW1534.84 g/mol
LogP9.83
Rot. Bonds26

About 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one

1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one (PubChem CID 159756876) has the molecular formula C81H87N19O9S2 and a molecular weight of 1534.84 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
PubChem CID159756876
Molecular FormulaC81H87N19O9S2
Molecular Weight1534.84 g/mol
Exact Mass1533.64
IUPAC Name1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
SMILESCN1CCN(c2ccc(CC(=O)CCc3nc(-c4ccncc4)no3)cn2)CC1.CN1CCN(c2ccc(CC(=O)Cc3csc(-c4ccccn4)n3)cn2)CC1.O=C(CCc1nc(-c2ccncc2)no1)Cc1ccc(N2CCOCC2)nc1.O=C(Cc1ccc(N2CCOCC2)nc1)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C21H24N6O2.C21H23N5OS.C20H21N5O3.C19H19N3O3S/c1-26-10-12-27(13-11-26)19-4-2-16(15-23-19)14-18(28)3-5-20-24-21(25-29-20)17-6-8-22-9-7-17;1-25-8-10-26(11-9-25)20-6-5-16(14-23-20)12-18(27)13-17-15-28-21(24-17)19-4-2-3-7-22-19;26-17(2-4-19-23-20(24-28-19)16-5-7-21-8-6-16)13-15-1-3-18(22-14-15)25-9-11-27-12-10-25;23-16(11-15-13-26-19(21-15)17-2-1-7-25-17)10-14-3-4-18(20-12-14)22-5-8-24-9-6-22/h2,4,6-9,15H,3,5,10-14H2,1H3;2-7,14-15H,8-13H2,1H3;1,3,5-8,14H,2,4,9-13H2;1-4,7,12-13H,5-6,8-11H2
InChIKeyNEJMRGCXXGMZEJ-UHFFFAOYSA-N
XLogP9.83
TPSA313.17 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms111
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001534.84
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one?
The IUPAC name of 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one (CID 159756876) is 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one.
What is the SMILES notation for 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one?
The canonical SMILES for 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one is CN1CCN(c2ccc(CC(=O)CCc3nc(-c4ccncc4)no3)cn2)CC1.CN1CCN(c2ccc(CC(=O)Cc3csc(-c4ccccn4)n3)cn2)CC1.O=C(CCc1nc(-c2ccncc2)no1)Cc1ccc(N2CCOCC2)nc1.O=C(Cc1ccc(N2CCOCC2)nc1)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one?
The InChIKey is NEJMRGCXXGMZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.C21H23N5OS.C20H21N5O3.C19H19N3O3S/c1-26-10-12-27(13-11-26)19-4-2-16(15-23-19)14-18(28)3-5-20-24-21(25-29-20)17-6-8-22-9-7-17;1-25-8-10-26(11-9-25)20-6-5-16(14-23-20)12-18(27)13-17-15-28-21(24-17)19-4-2-3-7-22-19;26-17(2-4-19-23-20(24-28-19)16-5-7-21-8-6-16)13-15-1-3-18(22-14-15)25-9-11-27-12-10-25;23-16(11-15-13-26-19(21-15)17-2-1-7-25-17)10-14-3-4-18(20-12-14)22-5-8-24-9-6-22/h2,4,6-9,15H,3,5,10-14H2,1H3;2-7,14-15H,8-13H2,1H3;1,3,5-8,14H,2,4,9-13H2;1-4,7,12-13H,5-6,8-11H2.
What are the key properties of 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one?
1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one has a molecular weight of 1534.84 g/mol, XLogP of 9.83, 26 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one is sourced from PubChem (CID 159756876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).