5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine

C18H18N6O — CID 176661410

IUPAC5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine
SMILESCCOCCc1cnc2c(cnn2-c2cccc(-c3ncn[nH]3)c2)c1
InChIInChI=1S/C18H18N6O/c1-2-25-7-6-13-8-15-11-22-24(18(15)19-10-13)16-5-3-4-14(9-16)17-20-12-21-23-17/h3-5,8-12H,2,6-7H2,1H3,(H,20,21,23)
InChIKeyZQSPHKZZMFBUGQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.78
Rot. Bonds6

About 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine

5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine (PubChem CID 176661410) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine
PubChem CID176661410
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine
SMILESCCOCCc1cnc2c(cnn2-c2cccc(-c3ncn[nH]3)c2)c1
InChIInChI=1S/C18H18N6O/c1-2-25-7-6-13-8-15-11-22-24(18(15)19-10-13)16-5-3-4-14(9-16)17-20-12-21-23-17/h3-5,8-12H,2,6-7H2,1H3,(H,20,21,23)
InChIKeyZQSPHKZZMFBUGQ-UHFFFAOYSA-N
XLogP2.78
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine (CID 176661410) is 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine is CCOCCc1cnc2c(cnn2-c2cccc(-c3ncn[nH]3)c2)c1.
What is the InChIKey of 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine?
The InChIKey is ZQSPHKZZMFBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-2-25-7-6-13-8-15-11-22-24(18(15)19-10-13)16-5-3-4-14(9-16)17-20-12-21-23-17/h3-5,8-12H,2,6-7H2,1H3,(H,20,21,23).
What are the key properties of 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine?
5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine has a molecular weight of 334.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-1-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 176661410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).