4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C21H23N7O2 — CID 173493184

IUPAC4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCC1C=CC(Cc2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)=CC1N
InChIInChI=1S/C21H23N7O2/c1-11-2-3-12(7-16(11)22)6-15-9-18(24-14-4-5-14)28-19(25-15)13(10-23-28)8-17-20(29)27-21(30)26-17/h2-3,7-11,14,16,29H,4-6,22H2,1H3,(H2,26,27,30)/b13-8?,24-18+
InChIKeyLXXUYADOVCMJKA-RZYMFCAMSA-N
MW405.46 g/mol
LogP0.06
Rot. Bonds4

About 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 173493184) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID173493184
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCC1C=CC(Cc2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)=CC1N
InChIInChI=1S/C21H23N7O2/c1-11-2-3-12(7-16(11)22)6-15-9-18(24-14-4-5-14)28-19(25-15)13(10-23-28)8-17-20(29)27-21(30)26-17/h2-3,7-11,14,16,29H,4-6,22H2,1H3,(H2,26,27,30)/b13-8?,24-18+
InChIKeyLXXUYADOVCMJKA-RZYMFCAMSA-N
XLogP0.06
TPSA137.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

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-[(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-(1-methylazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173471420
4-[(E)-[7-cyclopropylimino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283373
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
4-[[7-cyclopropylimino-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173471423
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-(3-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137037061
3-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylbenzenesulfonamide
CID 137065910
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-[(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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 173493184) is 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CC1C=CC(Cc2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)=CC1N.
What is the InChIKey of 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is LXXUYADOVCMJKA-RZYMFCAMSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-11-2-3-12(7-16(11)22)6-15-9-18(24-14-4-5-14)28-19(25-15)13(10-23-28)8-17-20(29)27-21(30)26-17/h2-3,7-11,14,16,29H,4-6,22H2,1H3,(H2,26,27,30)/b13-8?,24-18+.
What are the key properties of 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 405.46 g/mol, XLogP of 0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3-amino-4-methylcyclohexa-1,5-dien-1-yl)methyl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 173493184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).