[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene

C19H17N7O — CID 91895706

IUPAC[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene
SMILESCOc1cccc(-n2ncc3c(/N=N/C(C)c4ccncc4)ncnc32)c1
InChIInChI=1S/C19H17N7O/c1-13(14-6-8-20-9-7-14)24-25-18-17-11-23-26(19(17)22-12-21-18)15-4-3-5-16(10-15)27-2/h3-13H,1-2H3/b25-24+
InChIKeyRCDPINCYPCBQQS-OCOZRVBESA-N
MW359.39 g/mol
LogP4.06
Rot. Bonds5

About [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene

[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene (PubChem CID 91895706) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene
PubChem CID91895706
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene
SMILESCOc1cccc(-n2ncc3c(/N=N/C(C)c4ccncc4)ncnc32)c1
InChIInChI=1S/C19H17N7O/c1-13(14-6-8-20-9-7-14)24-25-18-17-11-23-26(19(17)22-12-21-18)15-4-3-5-16(10-15)27-2/h3-13H,1-2H3/b25-24+
InChIKeyRCDPINCYPCBQQS-OCOZRVBESA-N
XLogP4.06
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene?
The IUPAC name of [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene (CID 91895706) is [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene.
What is the SMILES notation for [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene?
The canonical SMILES for [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene is COc1cccc(-n2ncc3c(/N=N/C(C)c4ccncc4)ncnc32)c1.
What is the InChIKey of [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene?
The InChIKey is RCDPINCYPCBQQS-OCOZRVBESA-N. The full InChI is InChI=1S/C19H17N7O/c1-13(14-6-8-20-9-7-14)24-25-18-17-11-23-26(19(17)22-12-21-18)15-4-3-5-16(10-15)27-2/h3-13H,1-2H3/b25-24+.
What are the key properties of [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene?
[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene has a molecular weight of 359.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(1-pyridin-4-ylethyl)diazene is sourced from PubChem (CID 91895706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).