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

C22H22N6O2 — CID 123271449

IUPAC(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESCc1ccc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)o1
InChIInChI=1S/C22H22N6O2/c1-16-7-8-18(30-16)15-23-25-20-14-22(27-9-11-29-12-10-27)28-21(24-20)13-19(26-28)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/b25-23+
InChIKeyYJEHKNKDSTZRQX-WJTDDFOZSA-N
MW402.46 g/mol
LogP4.42
Rot. Bonds5

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

(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (PubChem CID 123271449) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.

Molecular Properties

Compound Name(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
PubChem CID123271449
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESCc1ccc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)o1
InChIInChI=1S/C22H22N6O2/c1-16-7-8-18(30-16)15-23-25-20-14-22(27-9-11-29-12-10-27)28-21(24-20)13-19(26-28)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/b25-23+
InChIKeyYJEHKNKDSTZRQX-WJTDDFOZSA-N
XLogP4.42
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.42
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

(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123590757
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)-[(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
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176627
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999542
7-morpholin-4-yl-2-phenyl-N-[(E)-3-phenylpropylideneamino]pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999540
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The IUPAC name of (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (CID 123271449) is (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.
What is the SMILES notation for (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The canonical SMILES for (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is Cc1ccc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)o1.
What is the InChIKey of (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The InChIKey is YJEHKNKDSTZRQX-WJTDDFOZSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-16-7-8-18(30-16)15-23-25-20-14-22(27-9-11-29-12-10-27)28-21(24-20)13-19(26-28)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/b25-23+.
What are the key properties of (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene has a molecular weight of 402.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is sourced from PubChem (CID 123271449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).