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

C20H20N8O3 — CID 175938610

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

3-(hydroxymethyl)-N-[1-[(1S)-1-[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 175938610) has the molecular formula C20H20N8O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[1-[(1S)-1-[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: 3-(hydroxymethyl)-N-[1-[(1S)-1-[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: 175938610
• Molecular Formula: C20H20N8O3
• Molecular Weight: 420.43 g/mol
• Exact Mass: 420.17
• IUPAC Name: 3-(hydroxymethyl)-N-[1-[(1S)-1-[2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide
• SMILES: C[C@@H](c1cnc(N2C[C@H]3C[C@H]3C2=O)nc1)n1cc(NC(=O)c2nccnc2CO)cn1
• InChI: InChI=1S/C20H20N8O3/c1-11(13-5-23-20(24-6-13)27-8-12-4-15(12)19(27)31)28-9-14(7-25-28)26-18(30)17-16(10-29)21-2-3-22-17/h2-3,5-7,9,11-12,15,29H,4,8,10H2,1H3,(H,26,30)/t11-,12+,15+/m0/s1
• InChIKey: LYTKHWHXDIXLRW-YWPYICTPSA-N
• XLogP: 0.80
• TPSA: 139.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.43
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[1-[(1S)-1-[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 3-(hydroxymethyl)-N-[1-[(1S)-1-[2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 175938610) is 3-(hydroxymethyl)-N-[1-[(1S)-1-[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 3-(hydroxymethyl)-N-[1-[(1S)-1-[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 3-(hydroxymethyl)-N-[1-[(1S)-1-[2-[(1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidin-5-yl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide is C[C@@H](c1cnc(N2C[C@H]3C[C@H]3C2=O)nc1)n1cc(NC(=O)c2nccnc2CO)cn1.

What is the InChIKey of 3-(hydroxymethyl)-N-[1-[(1S)-1-[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 LYTKHWHXDIXLRW-YWPYICTPSA-N. The full InChI is InChI=1S/C20H20N8O3/c1-11(13-5-23-20(24-6-13)27-8-12-4-15(12)19(27)31)28-9-14(7-25-28)26-18(30)17-16(10-29)21-2-3-22-17/h2-3,5-7,9,11-12,15,29H,4,8,10H2,1H3,(H,26,30)/t11-,12+,15+/m0/s1.

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

3-(hydroxymethyl)-N-[1-[(1S)-1-[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 420.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(hydroxymethyl)-N-[1-[(1S)-1-[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 175938610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).