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

C25H27N7O4 — CID 137052149

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

4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137052149) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137052149
• Molecular Formula: C25H27N7O4
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.21
• IUPAC Name: 4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]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(-c4cccc(OCC(O)N5CCCC5)c4)nc23)[nH]1
• InChI: InChI=1S/C25H27N7O4/c33-22(31-8-1-2-9-31)14-36-18-5-3-4-15(10-18)19-12-21(27-17-6-7-17)32-23(28-19)16(13-26-32)11-20-24(34)30-25(35)29-20/h3-5,10-13,17,22,33-34H,1-2,6-9,14H2,(H2,29,30,35)/b16-11?,27-21+
• InChIKey: MGAMQHJFAWVJAD-JSFKRGRISA-N
• XLogP: 0.52
• TPSA: 144.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137052149) is 4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]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-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]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(-c4cccc(OCC(O)N5CCCC5)c4)nc23)[nH]1.

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

The InChIKey is MGAMQHJFAWVJAD-JSFKRGRISA-N. The full InChI is InChI=1S/C25H27N7O4/c33-22(31-8-1-2-9-31)14-36-18-5-3-4-15(10-18)19-12-21(27-17-6-7-17)32-23(28-19)16(13-26-32)11-20-24(34)30-25(35)29-20/h3-5,10-13,17,22,33-34H,1-2,6-9,14H2,(H2,29,30,35)/b16-11?,27-21+.

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

4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 489.54 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-cyclopropylimino-5-[3-(2-hydroxy-2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137052149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).