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

C20H18N6O4S — CID 137037061

IUPAC4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)c1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C20H18N6O4S/c1-31(29,30)14-4-2-3-11(7-14)15-9-17(22-13-5-6-13)26-18(23-15)12(10-21-26)8-16-19(27)25-20(28)24-16/h2-4,7-10,13,27H,5-6H2,1H3,(H2,24,25,28)/b12-8?,22-17+
InChIKeyYEWHTMDUDPIWQP-MHUMYHJNSA-N
MW438.47 g/mol
LogP0.13
Rot. Bonds4

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

4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137037061) has the molecular formula C20H18N6O4S and a molecular weight of 438.47 g/mol. Its IUPAC name is 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137037061
Molecular FormulaC20H18N6O4S
Molecular Weight438.47 g/mol
Exact Mass438.11
IUPAC Name4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)c1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C20H18N6O4S/c1-31(29,30)14-4-2-3-11(7-14)15-9-17(22-13-5-6-13)26-18(23-15)12(10-21-26)8-16-19(27)25-20(28)24-16/h2-4,7-10,13,27H,5-6H2,1H3,(H2,24,25,28)/b12-8?,22-17+
InChIKeyYEWHTMDUDPIWQP-MHUMYHJNSA-N
XLogP0.13
TPSA145.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137037061) is 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)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-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CS(=O)(=O)c1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1.
What is the InChIKey of 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is YEWHTMDUDPIWQP-MHUMYHJNSA-N. The full InChI is InChI=1S/C20H18N6O4S/c1-31(29,30)14-4-2-3-11(7-14)15-9-17(22-13-5-6-13)26-18(23-15)12(10-21-26)8-16-19(27)25-20(28)24-16/h2-4,7-10,13,27H,5-6H2,1H3,(H2,24,25,28)/b12-8?,22-17+.
What are the key properties of 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 438.47 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137037061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).