1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one

C19H25N5OS — CID 129332345

About 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one

1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one (PubChem CID 129332345) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one
• PubChem CID: 129332345
• Molecular Formula: C19H25N5OS
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.18
• IUPAC Name: 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one
• SMILES: CN(Cc1nccs1)[C@@H]1CC12CCN(c1nccn(C3CC3)c1=O)CC2
• InChI: InChI=1S/C19H25N5OS/c1-22(13-16-20-7-11-26-16)15-12-19(15)4-8-23(9-5-19)17-18(25)24(10-6-21-17)14-2-3-14/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3/t15-/m1/s1
• InChIKey: DEOHRLYGKVCWCR-OAHLLOKOSA-N
• XLogP: 2.53
• TPSA: 54.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one?

The IUPAC name of 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one (CID 129332345) is 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one?

The canonical SMILES for 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one is CN(Cc1nccs1)[C@@H]1CC12CCN(c1nccn(C3CC3)c1=O)CC2.

What is the InChIKey of 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one?

The InChIKey is DEOHRLYGKVCWCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-22(13-16-20-7-11-26-16)15-12-19(15)4-8-23(9-5-19)17-18(25)24(10-6-21-17)14-2-3-14/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3/t15-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one?

1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one has a molecular weight of 371.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazin-2-one is sourced from PubChem (CID 129332345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).