5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine

C10H10N6 — CID 170485417

IUPAC5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine
SMILES[N-]=[N+]=NCCC=Cc1cnc2[nH]ncc2c1
InChIInChI=1S/C10H10N6/c11-16-13-4-2-1-3-8-5-9-7-14-15-10(9)12-6-8/h1,3,5-7H,2,4H2,(H,12,14,15)
InChIKeyUVUIVDDCPFKCQO-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.67
Rot. Bonds4

About 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine

5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine (PubChem CID 170485417) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine
PubChem CID170485417
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine
SMILES[N-]=[N+]=NCCC=Cc1cnc2[nH]ncc2c1
InChIInChI=1S/C10H10N6/c11-16-13-4-2-1-3-8-5-9-7-14-15-10(9)12-6-8/h1,3,5-7H,2,4H2,(H,12,14,15)
InChIKeyUVUIVDDCPFKCQO-UHFFFAOYSA-N
XLogP2.67
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(4-azidobut-1-enyl)-2-chloro-3-fluoropyridine
CID 170485000
5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine
CID 170485359
6-(3-azidoprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
CID 169461887
5-(4-azidobut-1-enyl)-2-(trifluoromethyl)pyrimidine
CID 170485602
(E,2S)-5-(1H-pyrazolo[5,4-b]pyridin-5-yl)pent-4-en-2-amine;trihydrochloride
CID 178024066
5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170485854
5-(4-azidobut-1-enyl)pyridine-3-carboxamide
CID 170485248
2-(4-azidobut-1-enyl)-3,5-dimethylpyridine
CID 170484989
2-(4-azidobut-1-enyl)pyrazine
CID 150773424
6-(4-azidobut-1-enyl)-2-methyl-1,3-benzoxazole
CID 170485478
1-(4-azidobut-1-enyl)-3-chloro-5-methylbenzene
CID 170484805
6-(4-azidobut-1-enyl)quinazolin-4-amine
CID 170486033

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine (CID 170485417) is 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine is [N-]=[N+]=NCCC=Cc1cnc2[nH]ncc2c1.
What is the InChIKey of 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is UVUIVDDCPFKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c11-16-13-4-2-1-3-8-5-9-7-14-15-10(9)12-6-8/h1,3,5-7H,2,4H2,(H,12,14,15).
What are the key properties of 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine?
5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 214.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobut-1-enyl)-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 170485417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).