3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide

C22H22N8O2 — CID 175938726

About 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide

3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 175938726) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide
• PubChem CID: 175938726
• Molecular Formula: C22H22N8O2
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.19
• IUPAC Name: 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide
• SMILES: Cc1nccnc1C(=O)Nc1cnn(C2(c3cnc(N4C[C@H]5C[C@H]5C4=O)c(C)n3)CC2)c1
• InChI: InChI=1S/C22H22N8O2/c1-12-18(24-6-5-23-12)20(31)28-15-8-26-30(11-15)22(3-4-22)17-9-25-19(13(2)27-17)29-10-14-7-16(14)21(29)32/h5-6,8-9,11,14,16H,3-4,7,10H2,1-2H3,(H,28,31)/t14-,16-/m1/s1
• InChIKey: QTOPWAWRHXIDMW-GDBMZVCRSA-N
• XLogP: 1.85
• TPSA: 118.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 175938726) is 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide is Cc1nccnc1C(=O)Nc1cnn(C2(c3cnc(N4C[C@H]5C[C@H]5C4=O)c(C)n3)CC2)c1.

What is the InChIKey of 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide?

The InChIKey is QTOPWAWRHXIDMW-GDBMZVCRSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-12-18(24-6-5-23-12)20(31)28-15-8-26-30(11-15)22(3-4-22)17-9-25-19(13(2)27-17)29-10-14-7-16(14)21(29)32/h5-6,8-9,11,14,16H,3-4,7,10H2,1-2H3,(H,28,31)/t14-,16-/m1/s1.

What are the key properties of 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide?

3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[1-[1-[6-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]cyclopropyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175938726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).