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

C22H23N7O2 — CID 137303236

IUPAC4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1cc(C)cc(CNc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C22H23N7O2/c1-12-5-13(2)7-14(6-12)10-23-18-9-19(25-16-3-4-16)29-20(27-18)15(11-24-29)8-17-21(30)28-22(31)26-17/h5-9,11,16,23,30H,3-4,10H2,1-2H3,(H2,26,28,31)/b15-8+,25-19+
InChIKeyLIUXNHRLLDCDJC-PBOHDITRSA-N
MW417.47 g/mol
LogP1.29
Rot. Bonds5

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

4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137303236) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137303236
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1cc(C)cc(CNc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C22H23N7O2/c1-12-5-13(2)7-14(6-12)10-23-18-9-19(25-16-3-4-16)29-20(27-18)15(11-24-29)8-17-21(30)28-22(31)26-17/h5-9,11,16,23,30H,3-4,10H2,1-2H3,(H2,26,28,31)/b15-8+,25-19+
InChIKeyLIUXNHRLLDCDJC-PBOHDITRSA-N
XLogP1.29
TPSA123.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-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-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137303236) is 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1cc(C)cc(CNc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1.
What is the InChIKey of 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is LIUXNHRLLDCDJC-PBOHDITRSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-12-5-13(2)7-14(6-12)10-23-18-9-19(25-16-3-4-16)29-20(27-18)15(11-24-29)8-17-21(30)28-22(31)26-17/h5-9,11,16,23,30H,3-4,10H2,1-2H3,(H2,26,28,31)/b15-8+,25-19+.
What are the key properties of 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 417.47 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[7-cyclopropylimino-5-[(3,5-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137303236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).