1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine

C17H17N3 — CID 175852149

IUPAC1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine
SMILESc1cnc2c(c1)cnn2-c1ccc2c(c1)CCCCC2
InChIInChI=1S/C17H17N3/c1-2-5-13-8-9-16(11-14(13)6-3-1)20-17-15(12-19-20)7-4-10-18-17/h4,7-12H,1-3,5-6H2
InChIKeyACKUEGFHMUOLRZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.69
Rot. Bonds1

About 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine

1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine (PubChem CID 175852149) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine
PubChem CID175852149
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine
SMILESc1cnc2c(c1)cnn2-c1ccc2c(c1)CCCCC2
InChIInChI=1S/C17H17N3/c1-2-5-13-8-9-16(11-14(13)6-3-1)20-17-15(12-19-20)7-4-10-18-17/h4,7-12H,1-3,5-6H2
InChIKeyACKUEGFHMUOLRZ-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine (CID 175852149) is 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine is c1cnc2c(c1)cnn2-c1ccc2c(c1)CCCCC2.
What is the InChIKey of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is ACKUEGFHMUOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-5-13-8-9-16(11-14(13)6-3-1)20-17-15(12-19-20)7-4-10-18-17/h4,7-12H,1-3,5-6H2.
What are the key properties of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine?
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 263.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 175852149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).