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

C20H25N7O2 — CID 173471420

IUPAC4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCN1CCCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1
InChIInChI=1S/C20H25N7O2/c1-26-7-2-3-12(6-8-26)15-10-17(22-14-4-5-14)27-18(23-15)13(11-21-27)9-16-19(28)25-20(29)24-16/h9-12,14,28H,2-8H2,1H3,(H2,24,25,29)/b13-9?,22-17+
InChIKeySJRJAINWGXPVQZ-JXQPCBBASA-N
MW395.47 g/mol
LogP0.26
Rot. Bonds3

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

4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 173471420) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID173471420
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCN1CCCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1
InChIInChI=1S/C20H25N7O2/c1-26-7-2-3-12(6-8-26)15-10-17(22-14-4-5-14)27-18(23-15)13(11-21-27)9-16-19(28)25-20(29)24-16/h9-12,14,28H,2-8H2,1H3,(H2,24,25,29)/b13-9?,22-17+
InChIKeySJRJAINWGXPVQZ-JXQPCBBASA-N
XLogP0.26
TPSA114.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(E)-[7-cyclopropylimino-5-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314421
4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137082790
4-[[7-cyclohexylimino-5-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137152119
4-[[7-cyclopropylimino-5-[(4-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 159233578
4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137052426
4-[(E)-[7-cyclopropylimino-5-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314414
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
5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 137317335
4-[[7-cyclopropylimino-5-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137037061
5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylthiophene-2-carboxamide
CID 137019898
4-[(E)-[7-cyclopropylimino-5-(2-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137304386
4-[(E)-[7-cyclopropylimino-5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137303116

Frequently Asked Questions

What is the IUPAC name of 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 173471420) is 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)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-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CN1CCCC(c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)CC1.
What is the InChIKey of 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is SJRJAINWGXPVQZ-JXQPCBBASA-N. The full InChI is InChI=1S/C20H25N7O2/c1-26-7-2-3-12(6-8-26)15-10-17(22-14-4-5-14)27-18(23-15)13(11-21-27)9-16-19(28)25-20(29)24-16/h9-12,14,28H,2-8H2,1H3,(H2,24,25,29)/b13-9?,22-17+.
What are the key properties of 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 395.47 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-cyclopropylimino-5-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 173471420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).