N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C27H26N8O2S — CID 58438603

About N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58438603) has the molecular formula C27H26N8O2S and a molecular weight of 526.63 g/mol. Its IUPAC name is N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 58438603
• Molecular Formula: C27H26N8O2S
• Molecular Weight: 526.63 g/mol
• Exact Mass: 526.19
• IUPAC Name: N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: N#CC1CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(-c4cc5nccc(N6CCCC6)c5s4)nc23)C2CC2)C1
• InChI: InChI=1S/C27H26N8O2S/c28-10-15-13-35(14-15)27(37)22(16-3-4-16)33-26(36)17-11-30-25-23(17)32-19(12-31-25)21-9-18-24(38-21)20(5-6-29-18)34-7-1-2-8-34/h5-6,9,11-12,15-16,22H,1-4,7-8,13-14H2,(H,30,31)(H,33,36)/t22-/m1/s1
• InChIKey: GSAOOZKKNDYASD-JOCHJYFZSA-N
• XLogP: 3.33
• TPSA: 130.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.63
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58438603) is N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is N#CC1CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(-c4cc5nccc(N6CCCC6)c5s4)nc23)C2CC2)C1.

What is the InChIKey of N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is GSAOOZKKNDYASD-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H26N8O2S/c28-10-15-13-35(14-15)27(37)22(16-3-4-16)33-26(36)17-11-30-25-23(17)32-19(12-31-25)21-9-18-24(38-21)20(5-6-29-18)34-7-1-2-8-34/h5-6,9,11-12,15-16,22H,1-4,7-8,13-14H2,(H,30,31)(H,33,36)/t22-/m1/s1.

What are the key properties of N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 526.63 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(7-pyrrolidin-1-ylthieno[3,2-b]pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58438603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).