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

IUPAC1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one
SMILESCc1ncsc1CN(C)C[C@H]1CCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=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
InChIKeyZLWFYGSCBPYHCT-CQSZACIVSA-N
MW359.50 g/mol
LogP2.30
Rot. Bonds6

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 Name1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one
PubChem CID129400676
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one
SMILESCc1ncsc1CN(C)C[C@H]1CCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=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
InChIKeyZLWFYGSCBPYHCT-CQSZACIVSA-N
XLogP2.30
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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).