4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C24H28N8O2S — CID 137289958

About 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137289958) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137289958
• Molecular Formula: C24H28N8O2S
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.21
• IUPAC Name: 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: CN(C)C1CCN(Cc2ccc(-c3c/c(=N\C4CC4)n4nc/c(=C\c5[nH]c(=O)[nH]c5O)c4n3)s2)C1
• InChI: InChI=1S/C24H28N8O2S/c1-30(2)16-7-8-31(12-16)13-17-5-6-20(35-17)18-10-21(26-15-3-4-15)32-22(27-18)14(11-25-32)9-19-23(33)29-24(34)28-19/h5-6,9-11,15-16,33H,3-4,7-8,12-13H2,1-2H3,(H2,28,29,34)/b14-9+,26-21+
• InChIKey: FYGOQBDLDZXWGH-QARSQNMTSA-N
• XLogP: 0.93
• TPSA: 117.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137289958) is 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CN(C)C1CCN(Cc2ccc(-c3c/c(=N\C4CC4)n4nc/c(=C\c5[nH]c(=O)[nH]c5O)c4n3)s2)C1.

What is the InChIKey of 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is FYGOQBDLDZXWGH-QARSQNMTSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-30(2)16-7-8-31(12-16)13-17-5-6-20(35-17)18-10-21(26-15-3-4-15)32-22(27-18)14(11-25-32)9-19-23(33)29-24(34)28-19/h5-6,9-11,15-16,33H,3-4,7-8,12-13H2,1-2H3,(H2,28,29,34)/b14-9+,26-21+.

What are the key properties of 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 492.61 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[7-cyclopropylimino-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137289958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).