1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

C25H23N7O — CID 123719867

IUPAC1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESc1ccc(-c2cc3nc(/N=N/Cc4c[nH]c5ccccc45)cc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C25H23N7O/c1-2-6-18(7-3-1)22-14-24-28-23(15-25(32(24)30-22)31-10-12-33-13-11-31)29-27-17-19-16-26-21-9-5-4-8-20(19)21/h1-9,14-16,26H,10-13,17H2/b29-27+
InChIKeyCXDOSOQGWCHIFT-ORIPQNMZSA-N
MW437.51 g/mol
LogP5.00
Rot. Bonds5

About 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (PubChem CID 123719867) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.

Molecular Properties

Compound Name1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
PubChem CID123719867
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESc1ccc(-c2cc3nc(/N=N/Cc4c[nH]c5ccccc45)cc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C25H23N7O/c1-2-6-18(7-3-1)22-14-24-28-23(15-25(32(24)30-22)31-10-12-33-13-11-31)29-27-17-19-16-26-21-9-5-4-8-20(19)21/h1-9,14-16,26H,10-13,17H2/b29-27+
InChIKeyCXDOSOQGWCHIFT-ORIPQNMZSA-N
XLogP5.00
TPSA83.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123456125
(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123271449
(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123590757
1-benzothiophen-2-ylmethyl-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123640264
N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176664
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531005
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 172983490
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91022452
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999542
1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531133
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 46378566
4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
CID 136638182

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The IUPAC name of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (CID 123719867) is 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.
What is the SMILES notation for 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The canonical SMILES for 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is c1ccc(-c2cc3nc(/N=N/Cc4c[nH]c5ccccc45)cc(N4CCOCC4)n3n2)cc1.
What is the InChIKey of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The InChIKey is CXDOSOQGWCHIFT-ORIPQNMZSA-N. The full InChI is InChI=1S/C25H23N7O/c1-2-6-18(7-3-1)22-14-24-28-23(15-25(32(24)30-22)31-10-12-33-13-11-31)29-27-17-19-16-26-21-9-5-4-8-20(19)21/h1-9,14-16,26H,10-13,17H2/b29-27+.
What are the key properties of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene has a molecular weight of 437.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is sourced from PubChem (CID 123719867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).