bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

C133H133N27O13S6 — CID 159927144

IUPACbis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4ccncc4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc([C@@H](CO)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1
InChIInChI=1S/C25H26N4O2S.2C23H25N5O2S.C22H21N5O2S.C20H18N4O3S.C20H18N4O2S/c1-28(2)13-14-29(17-18-5-4-6-21(15-18)31-3)25(30)23-16-20-7-8-22(27-24(20)32-23)19-9-11-26-12-10-19;2*1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)21-12-17-7-8-20(26-22(17)31-21)18-13-24-25-14-18;1-13(2)26-20(28)15-5-3-4-14(8-15)10-23-21(29)19-9-16-6-7-18(27-22(16)30-19)17-11-24-25-12-17;1-27-15-4-2-3-12(7-15)17(11-25)23-19(26)18-8-13-5-6-16(24-20(13)28-18)14-9-21-22-10-14;1-12(13-4-3-5-16(8-13)26-2)23-19(25)18-9-14-6-7-17(24-20(14)27-18)15-10-21-22-11-15/h4-12,15-16H,13-14,17H2,1-3H3;2*4-8,11-14H,9-10,15H2,1-3H3,(H,24,25);3-9,11-13H,10H2,1-2H3,(H,23,29)(H,24,25)(H,26,28);2-10,17,25H,11H2,1H3,(H,21,22)(H,23,26);3-12H,1-2H3,(H,21,22)(H,23,25)/t;;;;17-;12-/m....11/s1
InChIKeyNZDYWEVAJBHNSV-YHZNAEJKSA-N
MW2510.10 g/mol
LogP23.47
Rot. Bonds41

About bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159927144) has the molecular formula C133H133N27O13S6 and a molecular weight of 2510.10 g/mol. Its IUPAC name is bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Namebis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID159927144
Molecular FormulaC133H133N27O13S6
Molecular Weight2510.10 g/mol
Exact Mass2507.89
IUPAC Namebis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4ccncc4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc([C@@H](CO)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1
InChIInChI=1S/C25H26N4O2S.2C23H25N5O2S.C22H21N5O2S.C20H18N4O3S.C20H18N4O2S/c1-28(2)13-14-29(17-18-5-4-6-21(15-18)31-3)25(30)23-16-20-7-8-22(27-24(20)32-23)19-9-11-26-12-10-19;2*1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)21-12-17-7-8-20(26-22(17)31-21)18-13-24-25-14-18;1-13(2)26-20(28)15-5-3-4-14(8-15)10-23-21(29)19-9-16-6-7-18(27-22(16)30-19)17-11-24-25-12-17;1-27-15-4-2-3-12(7-15)17(11-25)23-19(26)18-8-13-5-6-16(24-20(13)28-18)14-9-21-22-10-14;1-12(13-4-3-5-16(8-13)26-2)23-19(25)18-9-14-6-7-17(24-20(14)27-18)15-10-21-22-11-15/h4-12,15-16H,13-14,17H2,1-3H3;2*4-8,11-14H,9-10,15H2,1-3H3,(H,24,25);3-9,11-13H,10H2,1-2H3,(H,23,29)(H,24,25)(H,26,28);2-10,17,25H,11H2,1H3,(H,21,22)(H,23,26);3-12H,1-2H3,(H,21,22)(H,23,25)/t;;;;17-;12-/m....11/s1
InChIKeyNZDYWEVAJBHNSV-YHZNAEJKSA-N
XLogP23.47
TPSA487.06 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms179
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002510.10
LogP ≤ 523.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 159927144) is bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is CC(C)NC(=O)c1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4ccncc4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.COc1cccc([C@@H](CO)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.
What is the InChIKey of bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NZDYWEVAJBHNSV-YHZNAEJKSA-N. The full InChI is InChI=1S/C25H26N4O2S.2C23H25N5O2S.C22H21N5O2S.C20H18N4O3S.C20H18N4O2S/c1-28(2)13-14-29(17-18-5-4-6-21(15-18)31-3)25(30)23-16-20-7-8-22(27-24(20)32-23)19-9-11-26-12-10-19;2*1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)21-12-17-7-8-20(26-22(17)31-21)18-13-24-25-14-18;1-13(2)26-20(28)15-5-3-4-14(8-15)10-23-21(29)19-9-16-6-7-18(27-22(16)30-19)17-11-24-25-12-17;1-27-15-4-2-3-12(7-15)17(11-25)23-19(26)18-8-13-5-6-16(24-20(13)28-18)14-9-21-22-10-14;1-12(13-4-3-5-16(8-13)26-2)23-19(25)18-9-14-6-7-17(24-20(14)27-18)15-10-21-22-11-15/h4-12,15-16H,13-14,17H2,1-3H3;2*4-8,11-14H,9-10,15H2,1-3H3,(H,24,25);3-9,11-13H,10H2,1-2H3,(H,23,29)(H,24,25)(H,26,28);2-10,17,25H,11H2,1H3,(H,21,22)(H,23,26);3-12H,1-2H3,(H,21,22)(H,23,25)/t;;;;17-;12-/m....11/s1.
What are the key properties of bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2510.10 g/mol, XLogP of 23.47, 41 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide);N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159927144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).