1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one

C18H25N5OS — CID 129400676

About 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one

1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 129400676) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one
• PubChem CID: 129400676
• Molecular Formula: C18H25N5OS
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.18
• IUPAC Name: 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one
• SMILES: Cc1ncsc1CN(C)C[C@H]1CCN(c2nccn(C3CC3)c2=O)C1
• InChI: InChI=1S/C18H25N5OS/c1-13-16(25-12-20-13)11-21(2)9-14-5-7-22(10-14)17-18(24)23(8-6-19-17)15-3-4-15/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/t14-/m1/s1
• InChIKey: ZLWFYGSCBPYHCT-CQSZACIVSA-N
• XLogP: 2.30
• TPSA: 54.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one?

The IUPAC name of 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one (CID 129400676) is 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one?

The canonical SMILES for 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one is Cc1ncsc1CN(C)C[C@H]1CCN(c2nccn(C3CC3)c2=O)C1.

What is the InChIKey of 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one?

The InChIKey is ZLWFYGSCBPYHCT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-16(25-12-20-13)11-21(2)9-14-5-7-22(10-14)17-18(24)23(8-6-19-17)15-3-4-15/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/t14-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one?

1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 359.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 129400676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).