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

C21H22N8O2 — CID 175938670

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

3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 175938670) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
• PubChem CID: 175938670
• Molecular Formula: C21H22N8O2
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.19
• IUPAC Name: 3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
• SMILES: Cc1nc([C@@H](C)n2cc(NC(=O)c3nccnc3C)cn2)ncc1N1C[C@H]2C[C@H]2C1=O
• InChI: InChI=1S/C21H22N8O2/c1-11-17(28-9-14-6-16(14)21(28)31)8-24-19(26-11)13(3)29-10-15(7-25-29)27-20(30)18-12(2)22-4-5-23-18/h4-5,7-8,10,13-14,16H,6,9H2,1-3H3,(H,27,30)/t13-,14-,16-/m1/s1
• InChIKey: VFWOQRNNNNNDPV-IIAWOOMASA-N
• XLogP: 1.92
• TPSA: 118.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 175938670) is 3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.

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

The canonical SMILES for 3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is Cc1nc([C@@H](C)n2cc(NC(=O)c3nccnc3C)cn2)ncc1N1C[C@H]2C[C@H]2C1=O.

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

The InChIKey is VFWOQRNNNNNDPV-IIAWOOMASA-N. The full InChI is InChI=1S/C21H22N8O2/c1-11-17(28-9-14-6-16(14)21(28)31)8-24-19(26-11)13(3)29-10-15(7-25-29)27-20(30)18-12(2)22-4-5-23-18/h4-5,7-8,10,13-14,16H,6,9H2,1-3H3,(H,27,30)/t13-,14-,16-/m1/s1.

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

3-methyl-N-[1-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 1.92, 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-[(1R)-1-[4-methyl-5-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-2-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175938670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).