4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C20H22N10O3 — CID 137289859

About 4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137289859) has the molecular formula C20H22N10O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]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-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137289859
• Molecular Formula: C20H22N10O3
• Molecular Weight: 450.46 g/mol
• Exact Mass: 450.19
• IUPAC Name: 4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(-n4cnc(CN5CCOCC5)c4)nc23)[nH]1
• InChI: InChI=1S/C20H22N10O3/c31-17-15(24-20(32)26-17)7-12-8-22-30-16(12)25-18(27-19(30)23-13-1-2-13)29-10-14(21-11-29)9-28-3-5-33-6-4-28/h7-8,10-11,13,31H,1-6,9H2,(H2,24,26,32)/b12-7+,23-19+
• InChIKey: FFTMWFOUKALRFD-CVRKKVDQSA-N
• XLogP: -1.52
• TPSA: 154.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.46
LogP ≤ 5	-1.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]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-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137289859) is 4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]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-[4-(morpholin-4-ylmethyl)imidazol-1-yl]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-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(-n4cnc(CN5CCOCC5)c4)nc23)[nH]1.

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

The InChIKey is FFTMWFOUKALRFD-CVRKKVDQSA-N. The full InChI is InChI=1S/C20H22N10O3/c31-17-15(24-20(32)26-17)7-12-8-22-30-16(12)25-18(27-19(30)23-13-1-2-13)29-10-14(21-11-29)9-28-3-5-33-6-4-28/h7-8,10-11,13,31H,1-6,9H2,(H2,24,26,32)/b12-7+,23-19+.

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

4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 450.46 g/mol, XLogP of -1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137289859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).