2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide

C24H23N7O2S — CID 16665874

About 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide

2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 16665874) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 16665874
• Molecular Formula: C24H23N7O2S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.16
• IUPAC Name: 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide
• SMILES: Cc1c(-c2ccnc(Nc3ccc(-c4csc(CC(N)=O)n4)cc3)n2)c(C)n2c1C(=O)NCC2
• InChI: InChI=1S/C24H23N7O2S/c1-13-21(14(2)31-10-9-26-23(33)22(13)31)17-7-8-27-24(30-17)28-16-5-3-15(4-6-16)18-12-34-20(29-18)11-19(25)32/h3-8,12H,9-11H2,1-2H3,(H2,25,32)(H,26,33)(H,27,28,30)
• InChIKey: DXRZYUFBOPVZRG-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 127.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide (CID 16665874) is 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide is Cc1c(-c2ccnc(Nc3ccc(-c4csc(CC(N)=O)n4)cc3)n2)c(C)n2c1C(=O)NCC2.

What is the InChIKey of 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is DXRZYUFBOPVZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-13-21(14(2)31-10-9-26-23(33)22(13)31)17-7-8-27-24(30-17)28-16-5-3-15(4-6-16)18-12-34-20(29-18)11-19(25)32/h3-8,12H,9-11H2,1-2H3,(H2,25,32)(H,26,33)(H,27,28,30).

What are the key properties of 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide?

2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 473.56 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16665874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).