N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H28N8O2 — CID 78049786

About N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 78049786) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 78049786
• Molecular Formula: C24H28N8O2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.23
• IUPAC Name: N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4c3CC(C)(C)CC4)nc12)C(=O)N1CC(C#N)C1
• InChI: InChI=1S/C24H28N8O2/c1-13(23(34)32-11-14(8-25)12-32)28-22(33)16-9-26-21-20(16)29-17(10-27-21)19-15-7-24(2,3)6-5-18(15)31(4)30-19/h9-10,13-14H,5-7,11-12H2,1-4H3,(H,26,27)(H,28,33)
• InChIKey: DATBBRPJJYJGMF-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 132.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 78049786) is N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4c3CC(C)(C)CC4)nc12)C(=O)N1CC(C#N)C1.

What is the InChIKey of N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is DATBBRPJJYJGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-13(23(34)32-11-14(8-25)12-32)28-22(33)16-9-26-21-20(16)29-17(10-27-21)19-15-7-24(2,3)6-5-18(15)31(4)30-19/h9-10,13-14H,5-7,11-12H2,1-4H3,(H,26,27)(H,28,33).

What are the key properties of N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 78049786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).