4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C41H39N23O9S2 — CID 157272756

IUPAC4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)c1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.CS(=O)c1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(-n4ccnc4)nc23)[nH]1
InChIInChI=1S/C15H13N9O2.C13H13N7O4S.C13H13N7O3S/c25-12-10(19-15(26)21-12)5-8-6-17-24-11(8)20-13(23-4-3-16-7-23)22-14(24)18-9-1-2-9;1-25(23,24)13-17-9-6(4-8-10(21)18-12(22)16-8)5-14-20(9)11(19-13)15-7-2-3-7;1-24(23)13-17-9-6(4-8-10(21)18-12(22)16-8)5-14-20(9)11(19-13)15-7-2-3-7/h3-7,9,25H,1-2H2,(H2,19,21,26);4-5,7,21H,2-3H2,1H3,(H2,16,18,22);4-5,7,21H,2-3H2,1H3,(H2,16,18,22)/b8-5?,18-14+;2*6-4?,15-11+
InChIKeyDOQKCAVWADWFOD-PMJLMAPRSA-N
MW1062.05 g/mol
LogP-5.30
Rot. Bonds9

About 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 157272756) has the molecular formula C41H39N23O9S2 and a molecular weight of 1062.05 g/mol. Its IUPAC name is 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID157272756
Molecular FormulaC41H39N23O9S2
Molecular Weight1062.05 g/mol
Exact Mass1061.27
IUPAC Name4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)c1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.CS(=O)c1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(-n4ccnc4)nc23)[nH]1
InChIInChI=1S/C15H13N9O2.C13H13N7O4S.C13H13N7O3S/c25-12-10(19-15(26)21-12)5-8-6-17-24-11(8)20-13(23-4-3-16-7-23)22-14(24)18-9-1-2-9;1-25(23,24)13-17-9-6(4-8-10(21)18-12(22)16-8)5-14-20(9)11(19-13)15-7-2-3-7;1-24(23)13-17-9-6(4-8-10(21)18-12(22)16-8)5-14-20(9)11(19-13)15-7-2-3-7/h3-7,9,25H,1-2H2,(H2,19,21,26);4-5,7,21H,2-3H2,1H3,(H2,16,18,22);4-5,7,21H,2-3H2,1H3,(H2,16,18,22)/b8-5?,18-14+;2*6-4?,15-11+
InChIKeyDOQKCAVWADWFOD-PMJLMAPRSA-N
XLogP-5.30
TPSA441.99 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001062.05
LogP ≤ 5-5.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[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-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 157272756) is 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[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-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[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-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CS(=O)(=O)c1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.CS(=O)c1n/c(=N\C2CC2)n2ncc(=Cc3[nH]c(=O)[nH]c3O)c2n1.O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(-n4ccnc4)nc23)[nH]1.
What is the InChIKey of 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is DOQKCAVWADWFOD-PMJLMAPRSA-N. The full InChI is InChI=1S/C15H13N9O2.C13H13N7O4S.C13H13N7O3S/c25-12-10(19-15(26)21-12)5-8-6-17-24-11(8)20-13(23-4-3-16-7-23)22-14(24)18-9-1-2-9;1-25(23,24)13-17-9-6(4-8-10(21)18-12(22)16-8)5-14-20(9)11(19-13)15-7-2-3-7;1-24(23)13-17-9-6(4-8-10(21)18-12(22)16-8)5-14-20(9)11(19-13)15-7-2-3-7/h3-7,9,25H,1-2H2,(H2,19,21,26);4-5,7,21H,2-3H2,1H3,(H2,16,18,22);4-5,7,21H,2-3H2,1H3,(H2,16,18,22)/b8-5?,18-14+;2*6-4?,15-11+.
What are the key properties of 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 1062.05 g/mol, XLogP of -5.30, 9 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylimino-2-imidazol-1-ylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfinylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[(4-cyclopropylimino-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 157272756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).