3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C116H134N24O5S4 — CID 160994677

About 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 160994677) has the molecular formula C116H134N24O5S4 and a molecular weight of 2072.78 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 160994677
• Molecular Formula: C116H134N24O5S4
• Molecular Weight: 2072.78 g/mol
• Exact Mass: 2070.99
• IUPAC Name: 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)ccn1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cnn(C)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4ccc(C(=O)N5CCCC5)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C5CCCCC5)c4)c3)sc2n1
• InChI: InChI=1S/C32H36N6O2S.C30H37N7OS.C28H31N5OS.C26H30N6OS/c1-21-4-10-25-28(33)29(41-31(25)36-21)30(39)35-13-12-22-5-11-27(37-18-14-34-15-19-37)26(20-22)23-6-8-24(9-7-23)32(40)38-16-2-3-17-38;1-20-7-9-24-27(31)28(39-30(24)35-20)29(38)33-12-11-21-8-10-26(36-15-13-32-14-16-36)25(17-21)22-18-34-37(19-22)23-5-3-2-4-6-23;1-18-6-8-22-25(29)26(35-28(22)32-18)27(34)31-12-10-20-7-9-24(33-14-4-3-5-15-33)23(17-20)21-11-13-30-19(2)16-21;1-17-6-8-20-23(27)24(34-26(20)30-17)25(33)28-11-10-18-7-9-22(32-12-4-3-5-13-32)21(14-18)19-15-29-31(2)16-19/h4-11,20,34H,2-3,12-19,33H2,1H3,(H,35,39);7-10,17-19,23,32H,2-6,11-16,31H2,1H3,(H,33,38);6-9,11,13,16-17H,3-5,10,12,14-15,29H2,1-2H3,(H,31,34);6-9,14-16H,3-5,10-13,27H2,1-2H3,(H,28,33)
• InChIKey: TVBWALMEAJERBF-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 377.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.78
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 160994677) is 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(-c2cc(CCNC(=O)c3sc4nc(C)ccc4c3N)ccc2N2CCCCC2)ccn1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4cnn(C)c4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4ccc(C(=O)N5CCCC5)cc4)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(-c4cnn(C5CCCCC5)c4)c3)sc2n1.

What is the InChIKey of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is TVBWALMEAJERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O2S.C30H37N7OS.C28H31N5OS.C26H30N6OS/c1-21-4-10-25-28(33)29(41-31(25)36-21)30(39)35-13-12-22-5-11-27(37-18-14-34-15-19-37)26(20-22)23-6-8-24(9-7-23)32(40)38-16-2-3-17-38;1-20-7-9-24-27(31)28(39-30(24)35-20)29(38)33-12-11-21-8-10-26(36-15-13-32-14-16-36)25(17-21)22-18-34-37(19-22)23-5-3-2-4-6-23;1-18-6-8-22-25(29)26(35-28(22)32-18)27(34)31-12-10-20-7-9-24(33-14-4-3-5-15-33)23(17-20)21-11-13-30-19(2)16-21;1-17-6-8-20-23(27)24(34-26(20)30-17)25(33)28-11-10-18-7-9-22(32-12-4-3-5-13-32)21(14-18)19-15-29-31(2)16-19/h4-11,20,34H,2-3,12-19,33H2,1H3,(H,35,39);7-10,17-19,23,32H,2-6,11-16,31H2,1H3,(H,33,38);6-9,11,13,16-17H,3-5,10,12,14-15,29H2,1-2H3,(H,31,34);6-9,14-16H,3-5,10-13,27H2,1-2H3,(H,28,33).

What are the key properties of 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2072.78 g/mol, XLogP of 19.48, 26 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[3-(1-cyclohexylpyrazol-4-yl)-4-piperazin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(1-methylpyrazol-4-yl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 160994677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).