3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C143H154Cl2N20O5S5 — CID 157150668

IUPAC3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cc1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cccc(Cl)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4C)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4Cl)c3)sc2n1.Cc1cccc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)c1
InChIInChI=1S/3C29H32N4OS.2C28H29ClN4OS/c1-19-8-4-5-9-22(19)24-18-21(11-13-25(24)33-16-6-3-7-17-33)14-15-31-28(34)27-26(30)23-12-10-20(2)32-29(23)35-27;1-19-6-10-22(11-7-19)24-18-21(9-13-25(24)33-16-4-3-5-17-33)14-15-31-28(34)27-26(30)23-12-8-20(2)32-29(23)35-27;1-19-7-6-8-22(17-19)24-18-21(10-12-25(24)33-15-4-3-5-16-33)13-14-31-28(34)27-26(30)23-11-9-20(2)32-29(23)35-27;1-18-9-11-21-25(30)26(35-28(21)32-18)27(34)31-14-13-19-10-12-24(33-15-5-2-6-16-33)22(17-19)20-7-3-4-8-23(20)29;1-18-8-10-22-25(30)26(35-28(22)32-18)27(34)31-13-12-19-9-11-24(33-14-3-2-4-15-33)23(16-19)20-6-5-7-21(29)17-20/h4-5,8-13,18H,3,6-7,14-17,30H2,1-2H3,(H,31,34);6-13,18H,3-5,14-17,30H2,1-2H3,(H,31,34);6-12,17-18H,3-5,13-16,30H2,1-2H3,(H,31,34);3-4,7-12,17H,2,5-6,13-16,30H2,1H3,(H,31,34);5-11,16-17H,2-4,12-15,30H2,1H3,(H,31,34)
InChIKeyALFJBESTNWMQRS-UHFFFAOYSA-N
MW2464.18 g/mol
LogP31.32
Rot. Bonds30

About 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157150668) has the molecular formula C143H154Cl2N20O5S5 and a molecular weight of 2464.18 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID157150668
Molecular FormulaC143H154Cl2N20O5S5
Molecular Weight2464.18 g/mol
Exact Mass2461.04
IUPAC Name3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cc1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cccc(Cl)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4C)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4Cl)c3)sc2n1.Cc1cccc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)c1
InChIInChI=1S/3C29H32N4OS.2C28H29ClN4OS/c1-19-8-4-5-9-22(19)24-18-21(11-13-25(24)33-16-6-3-7-17-33)14-15-31-28(34)27-26(30)23-12-10-20(2)32-29(23)35-27;1-19-6-10-22(11-7-19)24-18-21(9-13-25(24)33-16-4-3-5-17-33)14-15-31-28(34)27-26(30)23-12-8-20(2)32-29(23)35-27;1-19-7-6-8-22(17-19)24-18-21(10-12-25(24)33-15-4-3-5-16-33)13-14-31-28(34)27-26(30)23-11-9-20(2)32-29(23)35-27;1-18-9-11-21-25(30)26(35-28(21)32-18)27(34)31-14-13-19-10-12-24(33-15-5-2-6-16-33)22(17-19)20-7-3-4-8-23(20)29;1-18-8-10-22-25(30)26(35-28(22)32-18)27(34)31-13-12-19-9-11-24(33-14-3-2-4-15-33)23(16-19)20-6-5-7-21(29)17-20/h4-5,8-13,18H,3,6-7,14-17,30H2,1-2H3,(H,31,34);6-13,18H,3-5,14-17,30H2,1-2H3,(H,31,34);6-12,17-18H,3-5,13-16,30H2,1-2H3,(H,31,34);3-4,7-12,17H,2,5-6,13-16,30H2,1H3,(H,31,34);5-11,16-17H,2-4,12-15,30H2,1H3,(H,31,34)
InChIKeyALFJBESTNWMQRS-UHFFFAOYSA-N
XLogP31.32
TPSA356.25 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms175
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002464.18
LogP ≤ 531.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 157150668) is 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)cc1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cccc(Cl)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4C)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccc4Cl)c3)sc2n1.Cc1cccc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)c1.
What is the InChIKey of 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ALFJBESTNWMQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H32N4OS.2C28H29ClN4OS/c1-19-8-4-5-9-22(19)24-18-21(11-13-25(24)33-16-6-3-7-17-33)14-15-31-28(34)27-26(30)23-12-10-20(2)32-29(23)35-27;1-19-6-10-22(11-7-19)24-18-21(9-13-25(24)33-16-4-3-5-17-33)14-15-31-28(34)27-26(30)23-12-8-20(2)32-29(23)35-27;1-19-7-6-8-22(17-19)24-18-21(10-12-25(24)33-15-4-3-5-16-33)13-14-31-28(34)27-26(30)23-11-9-20(2)32-29(23)35-27;1-18-9-11-21-25(30)26(35-28(21)32-18)27(34)31-14-13-19-10-12-24(33-15-5-2-6-16-33)22(17-19)20-7-3-4-8-23(20)29;1-18-8-10-22-25(30)26(35-28(22)32-18)27(34)31-13-12-19-9-11-24(33-14-3-2-4-15-33)23(16-19)20-6-5-7-21(29)17-20/h4-5,8-13,18H,3,6-7,14-17,30H2,1-2H3,(H,31,34);6-13,18H,3-5,14-17,30H2,1-2H3,(H,31,34);6-12,17-18H,3-5,13-16,30H2,1-2H3,(H,31,34);3-4,7-12,17H,2,5-6,13-16,30H2,1H3,(H,31,34);5-11,16-17H,2-4,12-15,30H2,1H3,(H,31,34).
What are the key properties of 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2464.18 g/mol, XLogP of 31.32, 30 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-(2-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[3-(3-chlorophenyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(3-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(4-methylphenyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157150668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).