N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H30N4O3 — CID 58522333

About N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522333) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 58522333
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(=O)C[C@@H]1CCc2cc(Oc3cnc4[nH]cc(C(=O)N[C@@H](C)C(C)(C)C)c4n3)ccc21
• InChI: InChI=1S/C25H30N4O3/c1-14(30)10-16-6-7-17-11-18(8-9-19(16)17)32-21-13-27-23-22(29-21)20(12-26-23)24(31)28-15(2)25(3,4)5/h8-9,11-13,15-16H,6-7,10H2,1-5H3,(H,26,27)(H,28,31)/t15-,16-/m0/s1
• InChIKey: MPMUVKPIWOTEQL-HOTGVXAUSA-N
• XLogP: 4.92
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522333) is N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(=O)C[C@@H]1CCc2cc(Oc3cnc4[nH]cc(C(=O)N[C@@H](C)C(C)(C)C)c4n3)ccc21.

What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is MPMUVKPIWOTEQL-HOTGVXAUSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-14(30)10-16-6-7-17-11-18(8-9-19(16)17)32-21-13-27-23-22(29-21)20(12-26-23)24(31)28-15(2)25(3,4)5/h8-9,11-13,15-16H,6-7,10H2,1-5H3,(H,26,27)(H,28,31)/t15-,16-/m0/s1.

What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3,3-dimethylbutan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).