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

C20H18N6O3 — CID 159233578

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

4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 159233578) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 159233578
• Molecular Formula: C20H18N6O3
• Molecular Weight: 390.40 g/mol
• Exact Mass: 390.14
• IUPAC Name: 4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]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(Cc4ccc(O)cc4)nc23)[nH]1
• InChI: InChI=1S/C20H18N6O3/c27-15-5-1-11(2-6-15)7-14-9-17(22-13-3-4-13)26-18(23-14)12(10-21-26)8-16-19(28)25-20(29)24-16/h1-2,5-6,8-10,13,27-28H,3-4,7H2,(H2,24,25,29)/b12-8?,22-17+
• InChIKey: YOJOKMQGOCOPND-MHUMYHJNSA-N
• XLogP: 0.36
• TPSA: 131.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.40
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 159233578) is 4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]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-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]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(Cc4ccc(O)cc4)nc23)[nH]1.

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

The InChIKey is YOJOKMQGOCOPND-MHUMYHJNSA-N. The full InChI is InChI=1S/C20H18N6O3/c27-15-5-1-11(2-6-15)7-14-9-17(22-13-3-4-13)26-18(23-14)12(10-21-26)8-16-19(28)25-20(29)24-16/h1-2,5-6,8-10,13,27-28H,3-4,7H2,(H2,24,25,29)/b12-8?,22-17+.

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

4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 390.40 g/mol, XLogP of 0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 159233578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).