4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C21H22N8O2 — CID 137317284

About 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137317284) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137317284
• Molecular Formula: C21H22N8O2
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.19
• IUPAC Name: 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: Cc1ccc(C(C)Nc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)nc1
• InChI: InChI=1S/C21H22N8O2/c1-11-3-6-15(22-9-11)12(2)24-17-8-18(25-14-4-5-14)29-19(27-17)13(10-23-29)7-16-20(30)28-21(31)26-16/h3,6-10,12,14,24,30H,4-5H2,1-2H3,(H2,26,28,31)/b13-7+,25-18+
• InChIKey: WWKFSEHBUAFPNV-FQNDFDCGSA-N
• XLogP: 0.94
• TPSA: 136.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137317284) is 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]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-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1ccc(C(C)Nc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)nc1.

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

The InChIKey is WWKFSEHBUAFPNV-FQNDFDCGSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-11-3-6-15(22-9-11)12(2)24-17-8-18(25-14-4-5-14)29-19(27-17)13(10-23-29)7-16-20(30)28-21(31)26-16/h3,6-10,12,14,24,30H,4-5H2,1-2H3,(H2,26,28,31)/b13-7+,25-18+.

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

4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 418.46 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[7-cyclopropylimino-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137317284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).