4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C21H23N9O2 — CID 137289885

About 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137289885) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137289885
• Molecular Formula: C21H23N9O2
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.20
• IUPAC Name: 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: CCC(Nc1n/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccc(C)cn1
• InChI: InChI=1S/C21H23N9O2/c1-3-14(15-7-4-11(2)9-22-15)25-19-27-17-12(8-16-18(31)28-21(32)26-16)10-23-30(17)20(29-19)24-13-5-6-13/h4,7-10,13-14,31H,3,5-6H2,1-2H3,(H,24,25,29)(H2,26,28,32)/b12-8+
• InChIKey: NJEHTCFGXJCTRZ-XYOKQWHBSA-N
• XLogP: 0.72
• TPSA: 149.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137289885) is 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CCC(Nc1n/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccc(C)cn1.

What is the InChIKey of 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is NJEHTCFGXJCTRZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-3-14(15-7-4-11(2)9-22-15)25-19-27-17-12(8-16-18(31)28-21(32)26-16)10-23-30(17)20(29-19)24-13-5-6-13/h4,7-10,13-14,31H,3,5-6H2,1-2H3,(H,24,25,29)(H2,26,28,32)/b12-8+.

What are the key properties of 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 433.48 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137289885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).