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

C20H20N8O2 — CID 175938727

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

N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 175938727) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
• PubChem CID: 175938727
• Molecular Formula: C20H20N8O2
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.17
• IUPAC Name: N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
• SMILES: Cc1nc(N2C[C@H]3C[C@H]3C2=O)ncc1[C@@H](C)n1cc(NC(=O)c2cnccn2)cn1
• InChI: InChI=1S/C20H20N8O2/c1-11-16(7-23-20(25-11)27-9-13-5-15(13)19(27)30)12(2)28-10-14(6-24-28)26-18(29)17-8-21-3-4-22-17/h3-4,6-8,10,12-13,15H,5,9H2,1-2H3,(H,26,29)/t12-,13-,15-/m1/s1
• InChIKey: CBMJODMDLGKVGA-UMVBOHGHSA-N
• XLogP: 1.62
• TPSA: 118.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 175938727) is N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide.

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

The canonical SMILES for N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is Cc1nc(N2C[C@H]3C[C@H]3C2=O)ncc1[C@@H](C)n1cc(NC(=O)c2cnccn2)cn1.

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

The InChIKey is CBMJODMDLGKVGA-UMVBOHGHSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11-16(7-23-20(25-11)27-9-13-5-15(13)19(27)30)12(2)28-10-14(6-24-28)26-18(29)17-8-21-3-4-22-17/h3-4,6-8,10,12-13,15H,5,9H2,1-2H3,(H,26,29)/t12-,13-,15-/m1/s1.

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

N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1R)-1-[4-methyl-2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175938727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).