3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C26H29N5OS — CID 157187550

About 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157187550) has the molecular formula C26H29N5OS and a molecular weight of 459.62 g/mol. Its IUPAC name is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157187550
• Molecular Formula: C26H29N5OS
• Molecular Weight: 459.62 g/mol
• Exact Mass: 459.21
• IUPAC Name: 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1
• InChI: InChI=1S/C26H29N5OS/c1-15(12-29-25(32)24-23(28)21-7-3-16(2)30-26(21)33-24)19-6-8-22(20(10-19)11-27)31-13-17-4-5-18(9-17)14-31/h3,6-8,10,15,17-18H,4-5,9,12-14,28H2,1-2H3,(H,29,32)/t15-,17?,18?/m0/s1
• InChIKey: JPSZPPOACJIBAS-ZLPCBKJTSA-N
• XLogP: 4.83
• TPSA: 95.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.62
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 157187550) is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)c(C#N)c3)sc2n1.

What is the InChIKey of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JPSZPPOACJIBAS-ZLPCBKJTSA-N. The full InChI is InChI=1S/C26H29N5OS/c1-15(12-29-25(32)24-23(28)21-7-3-16(2)30-26(21)33-24)19-6-8-22(20(10-19)11-27)31-13-17-4-5-18(9-17)14-31/h3,6-8,10,15,17-18H,4-5,9,12-14,28H2,1-2H3,(H,29,32)/t15-,17?,18?/m0/s1.

What are the key properties of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157187550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).