3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one

C94H76Cl2N24O4S3 — CID 158331401

IUPAC3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2scc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2ccnn12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H23N7O.C25H21N7OS.2C21H16ClN5OS/c1-18(31-23-11-12-29-33-14-13-28-26(23)33)24-15-19-7-6-10-22(20-16-30-32(2)17-20)25(19)27(35)34(24)21-8-4-3-5-9-21;1-16(29-23-8-10-26-22-9-11-27-32(22)23)20-12-21-24(19(15-34-21)17-13-28-30(2)14-17)25(33)31(20)18-6-4-3-5-7-18;1-13(25-19-7-9-23-18-8-10-24-27(18)19)16-11-17-20(15(22)12-29-17)21(28)26(16)14-5-3-2-4-6-14;1-13(25-16-7-8-24-26-10-9-23-20(16)26)17-11-18-19(15(22)12-29-18)21(28)27(17)14-5-3-2-4-6-14/h3-18,31H,1-2H3;3-16,29H,1-2H3;2*2-13,25H,1H3/t18-;16-;2*13-/m0000/s1
InChIKeyGQBBWAPPKZNASO-RCPRYQENSA-N
MW1772.91 g/mol
LogP19.12
Rot. Bonds18

About 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one

3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 158331401) has the molecular formula C94H76Cl2N24O4S3 and a molecular weight of 1772.91 g/mol. Its IUPAC name is 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID158331401
Molecular FormulaC94H76Cl2N24O4S3
Molecular Weight1772.91 g/mol
Exact Mass1770.50
IUPAC Name3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2scc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2ccnn12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H23N7O.C25H21N7OS.2C21H16ClN5OS/c1-18(31-23-11-12-29-33-14-13-28-26(23)33)24-15-19-7-6-10-22(20-16-30-32(2)17-20)25(19)27(35)34(24)21-8-4-3-5-9-21;1-16(29-23-8-10-26-22-9-11-27-32(22)23)20-12-21-24(19(15-34-21)17-13-28-30(2)14-17)25(33)31(20)18-6-4-3-5-7-18;1-13(25-19-7-9-23-18-8-10-24-27(18)19)16-11-17-20(15(22)12-29-17)21(28)26(16)14-5-3-2-4-6-14;1-13(25-16-7-8-24-26-10-9-23-20(16)26)17-11-18-19(15(22)12-29-18)21(28)27(17)14-5-3-2-4-6-14/h3-18,31H,1-2H3;3-16,29H,1-2H3;2*2-13,25H,1H3/t18-;16-;2*13-/m0000/s1
InChIKeyGQBBWAPPKZNASO-RCPRYQENSA-N
XLogP19.12
TPSA292.52 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.91
LogP ≤ 519.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one (CID 158331401) is 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one is C[C@H](Nc1ccnc2ccnn12)c1cc2scc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2ccnn12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is GQBBWAPPKZNASO-RCPRYQENSA-N. The full InChI is InChI=1S/C27H23N7O.C25H21N7OS.2C21H16ClN5OS/c1-18(31-23-11-12-29-33-14-13-28-26(23)33)24-15-19-7-6-10-22(20-16-30-32(2)17-20)25(19)27(35)34(24)21-8-4-3-5-9-21;1-16(29-23-8-10-26-22-9-11-27-32(22)23)20-12-21-24(19(15-34-21)17-13-28-30(2)14-17)25(33)31(20)18-6-4-3-5-7-18;1-13(25-19-7-9-23-18-8-10-24-27(18)19)16-11-17-20(15(22)12-29-17)21(28)26(16)14-5-3-2-4-6-14;1-13(25-16-7-8-24-26-10-9-23-20(16)26)17-11-18-19(15(22)12-29-18)21(28)27(17)14-5-3-2-4-6-14/h3-18,31H,1-2H3;3-16,29H,1-2H3;2*2-13,25H,1H3/t18-;16-;2*13-/m0000/s1.
What are the key properties of 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 1772.91 g/mol, XLogP of 19.12, 18 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-5-phenylthieno[3,2-c]pyridin-4-one;3-chloro-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 158331401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).