8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one

C125H112N22O5S2 — CID 159715233

IUPAC8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one
SMILESC[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3ccc(N)nc3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3cccc(N(C)C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1ncnc2c1N=CC2)c1cc2cccc(-c3ccc(N(C)C)nc3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1ncnc2c1N=CC2)c1cc2cccc(-c3cnn(CCN4CCOCC4)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C33H33N7O2.C32H28N4OS.C31H28N6O.C29H23N5OS/c1-23(18-29-32-28(10-11-34-32)35-22-36-29)30-19-24-6-5-9-27(31(24)33(41)40(30)26-7-3-2-4-8-26)25-20-37-39(21-25)13-12-38-14-16-42-17-15-38;1-21(17-27-31-29(15-16-33-27)38-20-34-31)28-19-23-10-8-14-26(22-9-7-13-25(18-22)35(2)3)30(23)32(37)36(28)24-11-5-4-6-12-24;1-20(16-26-30-25(14-15-32-30)34-19-35-26)27-17-21-8-7-11-24(22-12-13-28(33-18-22)36(2)3)29(21)31(38)37(27)23-9-5-4-6-10-23;1-18(14-23-28-25(12-13-31-23)36-17-33-28)24-15-19-6-5-9-22(20-10-11-26(30)32-16-20)27(19)29(35)34(24)21-7-3-2-4-8-21/h2-9,11,19-23H,10,12-18H2,1H3;4-16,18-21H,17H2,1-3H3;4-13,15,17-20H,14,16H2,1-3H3;2-13,15-18H,14H2,1H3,(H2,30,32)/t23-;21-;20-;18-/m1111/s1
InChIKeyMZIQVPWLBXXKTM-ONXUNKICSA-N
MW2066.55 g/mol
LogP23.15
Rot. Bonds25

About 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one

8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one (PubChem CID 159715233) has the molecular formula C125H112N22O5S2 and a molecular weight of 2066.55 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one
PubChem CID159715233
Molecular FormulaC125H112N22O5S2
Molecular Weight2066.55 g/mol
Exact Mass2064.86
IUPAC Name8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one
SMILESC[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3ccc(N)nc3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3cccc(N(C)C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1ncnc2c1N=CC2)c1cc2cccc(-c3ccc(N(C)C)nc3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1ncnc2c1N=CC2)c1cc2cccc(-c3cnn(CCN4CCOCC4)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C33H33N7O2.C32H28N4OS.C31H28N6O.C29H23N5OS/c1-23(18-29-32-28(10-11-34-32)35-22-36-29)30-19-24-6-5-9-27(31(24)33(41)40(30)26-7-3-2-4-8-26)25-20-37-39(21-25)13-12-38-14-16-42-17-15-38;1-21(17-27-31-29(15-16-33-27)38-20-34-31)28-19-23-10-8-14-26(22-9-7-13-25(18-22)35(2)3)30(23)32(37)36(28)24-11-5-4-6-12-24;1-20(16-26-30-25(14-15-32-30)34-19-35-26)27-17-21-8-7-11-24(22-12-13-28(33-18-22)36(2)3)29(21)31(38)37(27)23-9-5-4-6-10-23;1-18(14-23-28-25(12-13-31-23)36-17-33-28)24-15-19-6-5-9-22(20-10-11-26(30)32-16-20)27(19)29(35)34(24)21-7-3-2-4-8-21/h2-9,11,19-23H,10,12-18H2,1H3;4-16,18-21H,17H2,1-3H3;4-13,15,17-20H,14,16H2,1-3H3;2-13,15-18H,14H2,1H3,(H2,30,32)/t23-;21-;20-;18-/m1111/s1
InChIKeyMZIQVPWLBXXKTM-ONXUNKICSA-N
XLogP23.15
TPSA304.41 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.55
LogP ≤ 523.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one?
The IUPAC name of 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one (CID 159715233) is 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one is C[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3ccc(N)nc3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3cccc(N(C)C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1ncnc2c1N=CC2)c1cc2cccc(-c3ccc(N(C)C)nc3)c2c(=O)n1-c1ccccc1.C[C@H](Cc1ncnc2c1N=CC2)c1cc2cccc(-c3cnn(CCN4CCOCC4)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one?
The InChIKey is MZIQVPWLBXXKTM-ONXUNKICSA-N. The full InChI is InChI=1S/C33H33N7O2.C32H28N4OS.C31H28N6O.C29H23N5OS/c1-23(18-29-32-28(10-11-34-32)35-22-36-29)30-19-24-6-5-9-27(31(24)33(41)40(30)26-7-3-2-4-8-26)25-20-37-39(21-25)13-12-38-14-16-42-17-15-38;1-21(17-27-31-29(15-16-33-27)38-20-34-31)28-19-23-10-8-14-26(22-9-7-13-25(18-22)35(2)3)30(23)32(37)36(28)24-11-5-4-6-12-24;1-20(16-26-30-25(14-15-32-30)34-19-35-26)27-17-21-8-7-11-24(22-12-13-28(33-18-22)36(2)3)29(21)31(38)37(27)23-9-5-4-6-10-23;1-18(14-23-28-25(12-13-31-23)36-17-33-28)24-15-19-6-5-9-22(20-10-11-26(30)32-16-20)27(19)29(35)34(24)21-7-3-2-4-8-21/h2-9,11,19-23H,10,12-18H2,1H3;4-16,18-21H,17H2,1-3H3;4-13,15,17-20H,14,16H2,1-3H3;2-13,15-18H,14H2,1H3,(H2,30,32)/t23-;21-;20-;18-/m1111/s1.
What are the key properties of 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one?
8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one has a molecular weight of 2066.55 g/mol, XLogP of 23.15, 25 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[3-(dimethylamino)phenyl]-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-(dimethylamino)-3-pyridinyl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one;8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenyl-3-[(2R)-1-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)propan-2-yl]isoquinolin-1-one is sourced from PubChem (CID 159715233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).