8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one

C114H88N18O7S4 — CID 159329164

IUPAC8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
SMILESCOc1ccccc1-c1cccc2cc([C@H](C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.COc1cnccc1-c1cccc2cc([C@H](C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3cccnc3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3ccoc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H24N4O2S.C29H23N5O2S.C28H21N5OS.C27H20N4O2S/c1-19(33-29-28-26(15-16-31-29)37-18-32-28)24-17-20-9-8-13-23(22-12-6-7-14-25(22)36-2)27(20)30(35)34(24)21-10-4-3-5-11-21;1-18(33-28-27-25(12-14-31-28)37-17-32-27)23-15-19-7-6-10-22(21-11-13-30-16-24(21)36-2)26(19)29(35)34(23)20-8-4-3-5-9-20;1-18(32-27-26-24(12-14-30-27)35-17-31-26)23-15-19-7-5-11-22(20-8-6-13-29-16-20)25(19)28(34)33(23)21-9-3-2-4-10-21;1-17(30-26-25-23(10-12-28-26)34-16-29-25)22-14-18-6-5-9-21(19-11-13-33-15-19)24(18)27(32)31(22)20-7-3-2-4-8-20/h3-19H,1-2H3,(H,31,33);3-18H,1-2H3,(H,31,33);2-18H,1H3,(H,30,32);2-17H,1H3,(H,28,30)/t19-;2*18-;17-/m0000/s1
InChIKeyLETFYZDXKOEXPK-DGRMNBPMSA-N
MW1950.34 g/mol
LogP25.74
Rot. Bonds22

About 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one

8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one (PubChem CID 159329164) has the molecular formula C114H88N18O7S4 and a molecular weight of 1950.34 g/mol. Its IUPAC name is 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one.

Molecular Properties

Compound Name8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
PubChem CID159329164
Molecular FormulaC114H88N18O7S4
Molecular Weight1950.34 g/mol
Exact Mass1948.60
IUPAC Name8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
SMILESCOc1ccccc1-c1cccc2cc([C@H](C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.COc1cnccc1-c1cccc2cc([C@H](C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3cccnc3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3ccoc3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H24N4O2S.C29H23N5O2S.C28H21N5OS.C27H20N4O2S/c1-19(33-29-28-26(15-16-31-29)37-18-32-28)24-17-20-9-8-13-23(22-12-6-7-14-25(22)36-2)27(20)30(35)34(24)21-10-4-3-5-11-21;1-18(33-28-27-25(12-14-31-28)37-17-32-27)23-15-19-7-6-10-22(21-11-13-30-16-24(21)36-2)26(19)29(35)34(23)20-8-4-3-5-9-20;1-18(32-27-26-24(12-14-30-27)35-17-31-26)23-15-19-7-5-11-22(20-8-6-13-29-16-20)25(19)28(34)33(23)21-9-3-2-4-10-21;1-17(30-26-25-23(10-12-28-26)34-16-29-25)22-14-18-6-5-9-21(19-11-13-33-15-19)24(18)27(32)31(22)20-7-3-2-4-8-20/h3-19H,1-2H3,(H,31,33);3-18H,1-2H3,(H,31,33);2-18H,1H3,(H,30,32);2-17H,1H3,(H,28,30)/t19-;2*18-;17-/m0000/s1
InChIKeyLETFYZDXKOEXPK-DGRMNBPMSA-N
XLogP25.74
TPSA296.62 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.34
LogP ≤ 525.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
The IUPAC name of 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one (CID 159329164) is 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one.
What is the SMILES notation for 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
The canonical SMILES for 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one is COc1ccccc1-c1cccc2cc([C@H](C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.COc1cnccc1-c1cccc2cc([C@H](C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3cccnc3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3ccoc3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
The InChIKey is LETFYZDXKOEXPK-DGRMNBPMSA-N. The full InChI is InChI=1S/C30H24N4O2S.C29H23N5O2S.C28H21N5OS.C27H20N4O2S/c1-19(33-29-28-26(15-16-31-29)37-18-32-28)24-17-20-9-8-13-23(22-12-6-7-14-25(22)36-2)27(20)30(35)34(24)21-10-4-3-5-11-21;1-18(33-28-27-25(12-14-31-28)37-17-32-27)23-15-19-7-6-10-22(21-11-13-30-16-24(21)36-2)26(19)29(35)34(23)20-8-4-3-5-9-20;1-18(32-27-26-24(12-14-30-27)35-17-31-26)23-15-19-7-5-11-22(20-8-6-13-29-16-20)25(19)28(34)33(23)21-9-3-2-4-10-21;1-17(30-26-25-23(10-12-28-26)34-16-29-25)22-14-18-6-5-9-21(19-11-13-33-15-19)24(18)27(32)31(22)20-7-3-2-4-8-20/h3-19H,1-2H3,(H,31,33);3-18H,1-2H3,(H,31,33);2-18H,1H3,(H,30,32);2-17H,1H3,(H,28,30)/t19-;2*18-;17-/m0000/s1.
What are the key properties of 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one has a molecular weight of 1950.34 g/mol, XLogP of 25.74, 22 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxyphenyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(3-methoxy-4-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one is sourced from PubChem (CID 159329164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).