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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

C135H136F4N34O15S2 — CID 159822430

About 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (PubChem CID 159822430) has the molecular formula C135H136F4N34O15S2 and a molecular weight of 2614.92 g/mol. Its IUPAC name is 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

• Compound Name: 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
• PubChem CID: 159822430
• Molecular Formula: C135H136F4N34O15S2
• Molecular Weight: 2614.92 g/mol
• Exact Mass: 2613.03
• IUPAC Name: 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
• SMILES: COCCOc1cccc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)ccc1F.COc1cc(F)cc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1ccc(F)c(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)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(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1F
• InChI: InChI=1S/C25H26N4O2S.C23H25N5O2S.C19H21N5O3.4C17H16FN5O2/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;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;1-26-9-10-27-16-4-2-3-14(11-16)13-21-19(25)22-18-12-17(23-24-18)15-5-7-20-8-6-15;1-25-14-7-11(6-13(18)8-14)10-20-17(24)21-16-9-15(22-23-16)12-2-4-19-5-3-12;1-25-13-2-3-14(18)12(8-13)10-20-17(24)21-16-9-15(22-23-16)11-4-6-19-7-5-11;1-25-15-8-11(2-3-13(15)18)10-20-17(24)21-16-9-14(22-23-16)12-4-6-19-7-5-12;1-25-14-4-2-3-12(16(14)18)10-20-17(24)21-15-9-13(22-23-15)11-5-7-19-8-6-11/h4-12,15-16H,13-14,17H2,1-3H3;4-8,11-14H,9-10,15H2,1-3H3,(H,24,25);2-8,11-12H,9-10,13H2,1H3,(H3,21,22,23,24,25);4*2-9H,10H2,1H3,(H3,20,21,22,23,24)
• InChIKey: NMKJMAHMHLATJY-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 601.79 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 44
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2614.92
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The IUPAC name of 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (CID 159822430) is 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.

What is the SMILES notation for 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The canonical SMILES for 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is COCCOc1cccc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)ccc1F.COc1cc(F)cc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1ccc(F)c(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)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(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1F.

What is the InChIKey of 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The InChIKey is NMKJMAHMHLATJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S.C23H25N5O2S.C19H21N5O3.4C17H16FN5O2/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;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;1-26-9-10-27-16-4-2-3-14(11-16)13-21-19(25)22-18-12-17(23-24-18)15-5-7-20-8-6-15;1-25-14-7-11(6-13(18)8-14)10-20-17(24)21-16-9-15(22-23-16)12-2-4-19-5-3-12;1-25-13-2-3-14(18)12(8-13)10-20-17(24)21-16-9-15(22-23-16)11-4-6-19-7-5-11;1-25-15-8-11(2-3-13(15)18)10-20-17(24)21-16-9-14(22-23-16)12-4-6-19-7-5-12;1-25-14-4-2-3-12(16(14)18)10-20-17(24)21-15-9-13(22-23-15)11-5-7-19-8-6-11/h4-12,15-16H,13-14,17H2,1-3H3;4-8,11-14H,9-10,15H2,1-3H3,(H,24,25);2-8,11-12H,9-10,13H2,1H3,(H3,21,22,23,24,25);4*2-9H,10H2,1H3,(H3,20,21,22,23,24).

What are the key properties of 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea has a molecular weight of 2614.92 g/mol, XLogP of 23.05, 44 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 159822430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).