2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide

C130H128N20O8S4 — CID 157103589

IUPAC2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide
SMILESCc1cc(NC(=O)c2cc(Oc3cc(-c4cccnc4)nc4sccc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3cc(-c4ccncc4)nc4sccc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3cc(-c4cccnc4)nc4sccc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3cc(-c4ccncc4)nc4sccc34)c2)ccc1CN1CCN(C)CC1
InChIInChI=1S/2C33H33N5O2S.2C32H31N5O2S/c1-22-4-7-27(40-31-20-30(24-8-11-34-12-9-24)36-33-28(31)10-17-41-33)19-29(22)32(39)35-26-6-5-25(23(2)18-26)21-38-15-13-37(3)14-16-38;1-22-6-9-27(40-31-19-30(24-5-4-11-34-20-24)36-33-28(31)10-16-41-33)18-29(22)32(39)35-26-8-7-25(23(2)17-26)21-38-14-12-37(3)13-15-38;1-22-17-26(9-8-25(22)21-37-14-12-36(2)13-15-37)34-31(38)23-5-3-7-27(18-23)39-30-19-29(24-6-4-11-33-20-24)35-32-28(30)10-16-40-32;1-22-18-26(7-6-25(22)21-37-15-13-36(2)14-16-37)34-31(38)24-4-3-5-27(19-24)39-30-20-29(23-8-11-33-12-9-23)35-32-28(30)10-17-40-32/h4-12,17-20H,13-16,21H2,1-3H3,(H,35,39);4-11,16-20H,12-15,21H2,1-3H3,(H,35,39);3-11,16-20H,12-15,21H2,1-2H3,(H,34,38);3-12,17-20H,13-16,21H2,1-2H3,(H,34,38)
InChIKeyAGAUPSNTHBKEEM-UHFFFAOYSA-N
MW2226.85 g/mol
LogP26.45
Rot. Bonds28

About 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide

2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide (PubChem CID 157103589) has the molecular formula C130H128N20O8S4 and a molecular weight of 2226.85 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide
PubChem CID157103589
Molecular FormulaC130H128N20O8S4
Molecular Weight2226.85 g/mol
Exact Mass2224.91
IUPAC Name2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide
SMILESCc1cc(NC(=O)c2cc(Oc3cc(-c4cccnc4)nc4sccc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3cc(-c4ccncc4)nc4sccc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3cc(-c4cccnc4)nc4sccc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3cc(-c4ccncc4)nc4sccc34)c2)ccc1CN1CCN(C)CC1
InChIInChI=1S/2C33H33N5O2S.2C32H31N5O2S/c1-22-4-7-27(40-31-20-30(24-8-11-34-12-9-24)36-33-28(31)10-17-41-33)19-29(22)32(39)35-26-6-5-25(23(2)18-26)21-38-15-13-37(3)14-16-38;1-22-6-9-27(40-31-19-30(24-5-4-11-34-20-24)36-33-28(31)10-16-41-33)18-29(22)32(39)35-26-8-7-25(23(2)17-26)21-38-14-12-37(3)13-15-38;1-22-17-26(9-8-25(22)21-37-14-12-36(2)13-15-37)34-31(38)23-5-3-7-27(18-23)39-30-19-29(24-6-4-11-33-20-24)35-32-28(30)10-16-40-32;1-22-18-26(7-6-25(22)21-37-15-13-36(2)14-16-37)34-31(38)24-4-3-5-27(19-24)39-30-20-29(23-8-11-33-12-9-23)35-32-28(30)10-17-40-32/h4-12,17-20H,13-16,21H2,1-3H3,(H,35,39);4-11,16-20H,12-15,21H2,1-3H3,(H,35,39);3-11,16-20H,12-15,21H2,1-2H3,(H,34,38);3-12,17-20H,13-16,21H2,1-2H3,(H,34,38)
InChIKeyAGAUPSNTHBKEEM-UHFFFAOYSA-N
XLogP26.45
TPSA282.36 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.85
LogP ≤ 526.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide?
The IUPAC name of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide (CID 157103589) is 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide is Cc1cc(NC(=O)c2cc(Oc3cc(-c4cccnc4)nc4sccc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3cc(-c4ccncc4)nc4sccc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3cc(-c4cccnc4)nc4sccc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3cc(-c4ccncc4)nc4sccc34)c2)ccc1CN1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide?
The InChIKey is AGAUPSNTHBKEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H33N5O2S.2C32H31N5O2S/c1-22-4-7-27(40-31-20-30(24-8-11-34-12-9-24)36-33-28(31)10-17-41-33)19-29(22)32(39)35-26-6-5-25(23(2)18-26)21-38-15-13-37(3)14-16-38;1-22-6-9-27(40-31-19-30(24-5-4-11-34-20-24)36-33-28(31)10-16-41-33)18-29(22)32(39)35-26-8-7-25(23(2)17-26)21-38-14-12-37(3)13-15-38;1-22-17-26(9-8-25(22)21-37-14-12-36(2)13-15-37)34-31(38)23-5-3-7-27(18-23)39-30-19-29(24-6-4-11-33-20-24)35-32-28(30)10-16-40-32;1-22-18-26(7-6-25(22)21-37-15-13-36(2)14-16-37)34-31(38)24-4-3-5-27(19-24)39-30-20-29(23-8-11-33-12-9-23)35-32-28(30)10-17-40-32/h4-12,17-20H,13-16,21H2,1-3H3,(H,35,39);4-11,16-20H,12-15,21H2,1-3H3,(H,35,39);3-11,16-20H,12-15,21H2,1-2H3,(H,34,38);3-12,17-20H,13-16,21H2,1-2H3,(H,34,38).
What are the key properties of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide?
2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide has a molecular weight of 2226.85 g/mol, XLogP of 26.45, 28 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)oxybenzamide is sourced from PubChem (CID 157103589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).