4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C22H20N10O2 — CID 137314451

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

4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137314451) has the molecular formula C22H20N10O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137314451
• Molecular Formula: C22H20N10O2
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.18
• IUPAC Name: 4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)cc(NCc4ccccc4-n4cncn4)nc23)[nH]1
• InChI: InChI=1S/C22H20N10O2/c33-21-16(28-22(34)30-21)7-14-10-25-32-19(27-15-5-6-15)8-18(29-20(14)32)24-9-13-3-1-2-4-17(13)31-12-23-11-26-31/h1-4,7-8,10-12,15,24,33H,5-6,9H2,(H2,28,30,34)/b14-7+,27-19+
• InChIKey: NKEJTLLNOHBGJA-QARLKVNISA-N
• XLogP: 0.25
• TPSA: 154.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137314451) is 4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]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-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)cc(NCc4ccccc4-n4cncn4)nc23)[nH]1.

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

The InChIKey is NKEJTLLNOHBGJA-QARLKVNISA-N. The full InChI is InChI=1S/C22H20N10O2/c33-21-16(28-22(34)30-21)7-14-10-25-32-19(27-15-5-6-15)8-18(29-20(14)32)24-9-13-3-1-2-4-17(13)31-12-23-11-26-31/h1-4,7-8,10-12,15,24,33H,5-6,9H2,(H2,28,30,34)/b14-7+,27-19+.

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

4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 456.47 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[7-cyclopropylimino-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137314451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).