4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C24H21N7O2S — CID 137024765

About 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137024765) has the molecular formula C24H21N7O2S and a molecular weight of 471.55 g/mol. Its IUPAC name is 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137024765
• Molecular Formula: C24H21N7O2S
• Molecular Weight: 471.55 g/mol
• Exact Mass: 471.15
• IUPAC Name: 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(NCc4ccccc4-c4cccs4)nc23)[nH]1
• InChI: InChI=1S/C24H21N7O2S/c32-23-18(28-24(33)30-23)10-15-13-26-31-21(27-16-7-8-16)11-20(29-22(15)31)25-12-14-4-1-2-5-17(14)19-6-3-9-34-19/h1-6,9-11,13,16,25,32H,7-8,12H2,(H2,28,30,33)/b15-10?,27-21+
• InChIKey: NTRUVWPWSKLZFX-WRVVGJNJSA-N
• XLogP: 2.40
• TPSA: 123.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.55
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137024765) is 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

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

The canonical SMILES for 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(NCc4ccccc4-c4cccs4)nc23)[nH]1.

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

The InChIKey is NTRUVWPWSKLZFX-WRVVGJNJSA-N. The full InChI is InChI=1S/C24H21N7O2S/c32-23-18(28-24(33)30-23)10-15-13-26-31-21(27-16-7-8-16)11-20(29-22(15)31)25-12-14-4-1-2-5-17(14)19-6-3-9-34-19/h1-6,9-11,13,16,25,32H,7-8,12H2,(H2,28,30,33)/b15-10?,27-21+.

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

4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 471.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-cyclopropylimino-5-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137024765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).