(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

C23H24N6O2 — CID 123590757

IUPAC(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESCc1cc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)oc1C
InChIInChI=1S/C23H24N6O2/c1-16-12-19(31-17(16)2)15-24-26-21-14-23(28-8-10-30-11-9-28)29-22(25-21)13-20(27-29)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3/b26-24+
InChIKeyZAJPMIQWOOHDDW-SHHOIMCASA-N
MW416.49 g/mol
LogP4.73
Rot. Bonds5

About (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (PubChem CID 123590757) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
PubChem CID123590757
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESCc1cc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)oc1C
InChIInChI=1S/C23H24N6O2/c1-16-12-19(31-17(16)2)15-24-26-21-14-23(28-8-10-30-11-9-28)29-22(25-21)13-20(27-29)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3/b26-24+
InChIKeyZAJPMIQWOOHDDW-SHHOIMCASA-N
XLogP4.73
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123271449
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123256118
1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123719867
1-benzothiophen-2-ylmethyl-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123640264
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531005
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176627
N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173488175
4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 8741337
1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531133
4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 58531138
7-morpholin-4-yl-2-phenyl-N-[(E)-3-phenylpropylideneamino]pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999540
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999542

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The IUPAC name of (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (CID 123590757) is (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The canonical SMILES for (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is Cc1cc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)oc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The InChIKey is ZAJPMIQWOOHDDW-SHHOIMCASA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16-12-19(31-17(16)2)15-24-26-21-14-23(28-8-10-30-11-9-28)29-22(25-21)13-20(27-29)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3/b26-24+.
What are the key properties of (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene has a molecular weight of 416.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is sourced from PubChem (CID 123590757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).