4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C23H26N10O2 — CID 137092111

About 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137092111) has the molecular formula C23H26N10O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137092111
• Molecular Formula: C23H26N10O2
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.22
• IUPAC Name: 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: CN1CCN(c2ccc(Nc3n/c(=N\C4CC4)n4ncc(=Cc5[nH]c(=O)[nH]c5O)c4n3)cc2)CC1
• InChI: InChI=1S/C23H26N10O2/c1-31-8-10-32(11-9-31)17-6-4-15(5-7-17)25-21-28-19-14(12-18-20(34)29-23(35)27-18)13-24-33(19)22(30-21)26-16-2-3-16/h4-7,12-13,16,34H,2-3,8-11H2,1H3,(H,25,26,30)(H2,27,29,35)
• InChIKey: YPUHLWPXBIHGQE-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 142.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137092111) is 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]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-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CN1CCN(c2ccc(Nc3n/c(=N\C4CC4)n4ncc(=Cc5[nH]c(=O)[nH]c5O)c4n3)cc2)CC1.

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

The InChIKey is YPUHLWPXBIHGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O2/c1-31-8-10-32(11-9-31)17-6-4-15(5-7-17)25-21-28-19-14(12-18-20(34)29-23(35)27-18)13-24-33(19)22(30-21)26-16-2-3-16/h4-7,12-13,16,34H,2-3,8-11H2,1H3,(H,25,26,30)(H2,27,29,35).

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

4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 474.53 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-cyclopropylimino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137092111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).