pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene

C14H10N8S — CID 91333738

IUPACpyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
SMILESc1cncc(C/N=N/c2ncnc3c2cnn3-c2nccs2)c1
InChIInChI=1S/C14H10N8S/c1-2-10(6-15-3-1)7-19-21-12-11-8-20-22(13(11)18-9-17-12)14-16-4-5-23-14/h1-6,8-9H,7H2/b21-19+
InChIKeyMFMWIFYTUVUSGQ-XUTLUUPISA-N
MW322.36 g/mol
LogP2.95
Rot. Bonds4

About pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene

pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene (PubChem CID 91333738) has the molecular formula C14H10N8S and a molecular weight of 322.36 g/mol. Its IUPAC name is pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene.

Molecular Properties

Compound Namepyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
PubChem CID91333738
Molecular FormulaC14H10N8S
Molecular Weight322.36 g/mol
Exact Mass322.07
IUPAC Namepyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
SMILESc1cncc(C/N=N/c2ncnc3c2cnn3-c2nccs2)c1
InChIInChI=1S/C14H10N8S/c1-2-10(6-15-3-1)7-19-21-12-11-8-20-22(13(11)18-9-17-12)14-16-4-5-23-14/h1-6,8-9H,7H2/b21-19+
InChIKeyMFMWIFYTUVUSGQ-XUTLUUPISA-N
XLogP2.95
TPSA94.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
CID 91895686
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
CID 90924504
(3-fluoro-4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
CID 91135738
N-(3-oxobutyl)-4-[[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]benzamide
CID 90967064
1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017675
benzyl(quinazolin-4-yl)diazene
CID 91896863
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91061860
3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline
CID 91108299
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
[6-(3-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91397560
2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole
CID 82880870

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The IUPAC name of pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene (CID 91333738) is pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene.
What is the SMILES notation for pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The canonical SMILES for pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene is c1cncc(C/N=N/c2ncnc3c2cnn3-c2nccs2)c1.
What is the InChIKey of pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The InChIKey is MFMWIFYTUVUSGQ-XUTLUUPISA-N. The full InChI is InChI=1S/C14H10N8S/c1-2-10(6-15-3-1)7-19-21-12-11-8-20-22(13(11)18-9-17-12)14-16-4-5-23-14/h1-6,8-9H,7H2/b21-19+.
What are the key properties of pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene has a molecular weight of 322.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene is sourced from PubChem (CID 91333738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).